Diff of the two buildlogs: -- --- b1/build.log 2024-05-26 00:36:04.016811786 +0000 +++ b2/build.log 2024-05-26 01:19:33.125747313 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Fri Jun 27 18:47:46 -12 2025 -I: pbuilder-time-stamp: 1751093266 +I: Current time: Sun May 26 14:36:10 +14 2024 +I: pbuilder-time-stamp: 1716683770 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -29,52 +29,84 @@ dpkg-source: info: applying sphinx-7-styles.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/64368/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/2259958/tmp/hooks/D01_modify_environment starting +debug: Running on ionos11-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 May 26 00:37 /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/2259958/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/2259958/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' - DISTRIBUTION='unstable' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="2" [2]="21" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.2.21(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=20 ' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='cb4ec888fa06469988e1db4f0daca026' - 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='64368' - PS1='# ' - PS2='> ' + INVOCATION_ID=f0b03c479505489f86e48e0061ed46d7 + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=2259958 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.nMSCkPSt/pbuilderrc_VC2g --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.nMSCkPSt/b1 --logfile b1/build.log votca_2024-2.dsc' - SUDO_GID='111' - SUDO_UID='106' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://213.165.73.152:3128' + 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.nMSCkPSt/pbuilderrc_E59U --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.nMSCkPSt/b2 --logfile b2/build.log votca_2024-2.dsc' + SUDO_GID=111 + SUDO_UID=106 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://46.16.76.132:3128 I: uname -a - Linux ionos15-amd64 6.7.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.7.12-1~bpo12+1 (2024-05-06) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-21-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.90-1 (2024-05-03) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Jun 26 14:05 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/64368/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 May 25 07:42 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/2259958/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -678,7 +710,7 @@ Get: 494 http://deb.debian.org/debian unstable/main amd64 python3-sphinxcontrib.jquery all 4.1-5 [7348 B] Get: 495 http://deb.debian.org/debian unstable/main amd64 python3-sphinx-rtd-theme all 2.0.0+dfsg-1 [28.3 kB] Get: 496 http://deb.debian.org/debian unstable/main amd64 txt2tags all 3.4-4 [112 kB] -Fetched 482 MB in 11s (43.1 MB/s) +Fetched 482 MB in 24s (20.2 MB/s) debconf: delaying package configuration, since apt-utils is not installed Selecting previously unselected package fonts-lato. (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 ... 19718 files and directories currently installed.) @@ -2259,8 +2291,8 @@ Setting up tzdata (2024a-4) ... Current default time zone: 'Etc/UTC' -Local time is now: Sat Jun 28 06:49:40 UTC 2025. -Universal Time is now: Sat Jun 28 06:49:40 UTC 2025. +Local time is now: Sun May 26 00:47:31 UTC 2024. +Universal Time is now: Sun May 26 00:47:31 UTC 2024. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up libboost-atomic1.83.0:amd64 (1.83.0-2.1+b1) ... @@ -2716,7 +2748,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/votca-2024/ && 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 > ../votca_2024-2_source.changes +I: user script /srv/workspace/pbuilder/2259958/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/2259958/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/votca-2024/ && 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 > ../votca_2024-2_source.changes dpkg-buildpackage: info: source package votca dpkg-buildpackage: info: source version 2024-2 dpkg-buildpackage: info: source distribution unstable @@ -2958,8 +2994,8 @@ CMA python module needed to run CMA regression tests * JUPYTER_NBCONVERT (required version >= 5.4.1) --- Configuring done (10.8s) --- Generating done (0.9s) +-- Configuring done (31.9s) +-- Generating done (2.6s) CMake Warning: Manually-specified variables were not used by the project: @@ -2975,7 +3011,7 @@ debian/rules override_dh_auto_build-indep make[1]: Entering directory '/build/reproducible-path/votca-2024' dh_auto_build - cd obj-x86_64-linux-gnu && make -j42 "INSTALL=install --strip-program=true" VERBOSE=1 + cd obj-x86_64-linux-gnu && make -j20 "INSTALL=install --strip-program=true" VERBOSE=1 make[2]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/votca-2024 -B/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu//CMakeFiles/progress.marks @@ -2988,262 +3024,262 @@ make -f csg/share/man/CMakeFiles/votca_csg_manpages.dir/build.make csg/share/man/CMakeFiles/votca_csg_manpages.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools/CMakeFiles/gitversion.dir/DependInfo.cmake "--color=" +make -f xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/share/man/CMakeFiles/votca_tools_manpages.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_call_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_inverse_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/man/CMakeFiles/votca_csg_manpages.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/DependInfo.cmake "--color=" -make -f csg/scripts/CMakeFiles/csg_call_build.dir/build.make csg/scripts/CMakeFiles/csg_call_build.dir/depend +make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/depend +make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/DependInfo.cmake "--color=" -make -f csg/scripts/CMakeFiles/csg_inverse_build.dir/build.make csg/scripts/CMakeFiles/csg_inverse_build.dir/depend +make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_build.dir/depend -make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/DependInfo.cmake "--color=" -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_call_build.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_inverse_build.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_basisset_build.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/DependInfo.cmake "--color=" -make -f xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build.make xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/DependInfo.cmake "--color=" +make -f csg/scripts/CMakeFiles/csg_call_build.dir/build.make csg/scripts/CMakeFiles/csg_call_build.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build.make csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/libtools/CMakeFiles/gitversion.dir/build.make tools/src/libtools/CMakeFiles/gitversion.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_call_build.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/share/man/CMakeFiles/votca_tools_manpages.dir/build.make tools/share/man/CMakeFiles/votca_tools_manpages.dir/build -make -f csg/scripts/CMakeFiles/csg_call_manpage.dir/build.make csg/scripts/CMakeFiles/csg_call_manpage.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/share/man/CMakeFiles/votca_csg_manpages.dir/build.make csg/share/man/CMakeFiles/votca_csg_manpages.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools && /usr/bin/cmake -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -DGIT_EXECUTABLE="" -P /build/reproducible-path/votca-2024/CMakeModules/gitversion.cmake -make -f xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/scripts/CMakeFiles/csg_call_manpage.dir/build.make csg/scripts/CMakeFiles/csg_call_manpage.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Nothing to be done for 'tools/share/man/CMakeFiles/votca_tools_manpages.dir/build'. make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build +make -f csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build.make csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build +make -f csg/share/man/CMakeFiles/votca_csg_manpages.dir/build.make csg/share/man/CMakeFiles/votca_csg_manpages.dir/build +make -f xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build +make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Nothing to be done for 'csg/share/man/CMakeFiles/votca_csg_manpages.dir/build'. make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build -make -f csg/scripts/CMakeFiles/csg_call_build.dir/build.make csg/scripts/CMakeFiles/csg_call_build.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/scripts/CMakeFiles/csg_inverse_build.dir/build.make csg/scripts/CMakeFiles/csg_inverse_build.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/scripts/CMakeFiles/csg_inverse_build.dir/build.make csg/scripts/CMakeFiles/csg_inverse_build.dir/depend +make -f xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_build.dir/depend +[ 0%] Building xtp_basisset manpage +make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_basisset --format groff --out xtp_basisset.man +[ 0%] Building xtp_autogen_mapping manpage +make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/depend +make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/depend +make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/depend +make -f xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build.make xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_autogen_mapping --format groff --out xtp_autogen_mapping.man make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_inverse_build.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build -make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build -make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build +make -f csg/scripts/CMakeFiles/csg_call_build.dir/build.make csg/scripts/CMakeFiles/csg_call_build.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build.make xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 0%] Building csg_inverse manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_inverse --format groff --out csg_inverse.man -[ 1%] Building xtp_autogen_mapping manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_basisset_build.dir/DependInfo.cmake "--color=" [ 0%] Building csg_call manpage +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/DependInfo.cmake "--color=" [ 1%] Building xtp_update_mapfile manpage -[ 1%] Building xtp_qmmm2qm manpage -[ 1%] Building xtp_modify_jobfile manpage -[ 1%] Building xtp_basisset manpage [ 1%] Generating csg_call -[ 1%] Generating csg_inverse -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call --format groff --out csg_call.man -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_qmmm2qm --format groff --out xtp_qmmm2qm.man -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_update_mapfile --format groff --out xtp_update_mapfile.man -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_modify_jobfile --format groff --out xtp_modify_jobfile.man -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_autogen_mapping --format groff --out xtp_autogen_mapping.man -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -DINPUT="csg_call.in2" -DOUTPUT="csg_call.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -DINPUT="csg_inverse.in2" -DOUTPUT="csg_inverse.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake -[ 1%] Generating xtp_update_mapfile -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_basisset --format groff --out xtp_basisset.man -[ 1%] Generating xtp_modify_jobfile +[ 1%] Building csg_inverse manpage [ 1%] Built target votca_csg_manpages -[ 1%] Generating xtp_basisset -[ 1%] Generating xtp_autogen_mapping -[ 1%] Generating xtp_benchmark.install -[ 1%] Generating xtp_qmmm2qm +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_inverse --format groff --out csg_inverse.man +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_update_mapfile --format groff --out xtp_update_mapfile.man +[ 1%] Building xtp_modify_jobfile manpage [ 1%] Built target votca_tools_manpages -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_update_mapfile.in2" -DOUTPUT="xtp_update_mapfile.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_modify_jobfile.in2" -DOUTPUT="xtp_modify_jobfile.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_basisset.in2" -DOUTPUT="xtp_basisset.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_autogen_mapping.in2" -DOUTPUT="xtp_autogen_mapping.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark && /usr/bin/cmake -DINPUT="xtp_benchmark.in2" -DOUTPUT="xtp_benchmark" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_qmmm2qm.in2" -DOUTPUT="xtp_qmmm2qm.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake +[ 1%] Building xtp_qmmm2qm manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call --format groff --out csg_call.man +make -f csg/scripts/CMakeFiles/csg_inverse_build.dir/build.make csg/scripts/CMakeFiles/csg_inverse_build.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -DINPUT="csg_call.in2" -DOUTPUT="csg_call.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_modify_jobfile --format groff --out xtp_modify_jobfile.man +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/xtp/scripts/xtp_qmmm2qm --format groff --out xtp_qmmm2qm.man +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 1%] Built target gitversion +make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/libtools/CMakeFiles/votca_tools.dir/build.make tools/src/libtools/CMakeFiles/votca_tools.dir/depend make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build +[ 1%] Generating xtp_qmmm2qm +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_qmmm2qm.in2" -DOUTPUT="xtp_qmmm2qm.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake +make -f xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build.make xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build +[ 1%] Generating csg_inverse +[ 1%] Generating xtp_autogen_mapping +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -DINPUT="csg_inverse.in2" -DOUTPUT="csg_inverse.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_autogen_mapping.in2" -DOUTPUT="xtp_autogen_mapping.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake +[ 1%] Generating xtp_benchmark.install +[ 1%] Generating xtp_basisset +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark && /usr/bin/cmake -DINPUT="xtp_benchmark.in2" -DOUTPUT="xtp_benchmark" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_basisset.in2" -DOUTPUT="xtp_basisset.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake +[ 1%] Generating xtp_update_mapfile +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_update_mapfile.in2" -DOUTPUT="xtp_update_mapfile.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 1%] Generating xtp_modify_jobfile +[ 1%] Built target gitversion +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts && /usr/bin/cmake -DINPUT="xtp_modify_jobfile.in2" -DOUTPUT="xtp_modify_jobfile.install" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/libtools/CMakeFiles/votca_tools.dir/build.make tools/src/libtools/CMakeFiles/votca_tools.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools/CMakeFiles/votca_tools.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [ 1%] Built target csg_call_build -[ 1%] Built target xtp_update_mapfile_build -[ 1%] Built target xtp_qmmm2qm_build [ 1%] Built target csg_inverse_build -[ 1%] Built target xtp_modify_jobfile_build -[ 1%] Built target xtp_basisset_build -[ 1%] Built target xtp_benchmark_build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/libtools/CMakeFiles/votca_tools.dir/build.make tools/src/libtools/CMakeFiles/votca_tools.dir/build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 1%] Built target xtp_autogen_mapping_build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 1%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/datacollection.cc.o -[ 1%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/cubicspline.cc.o -[ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/application.cc.o -[ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/correlate.cc.o -[ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/akimaspline.cc.o -[ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/calculator.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -Dvotca_tools_EXPORTS -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT tools/src/libtools/CMakeFiles/votca_tools.dir/cubicspline.cc.o -MF CMakeFiles/votca_tools.dir/cubicspline.cc.o.d -o CMakeFiles/votca_tools.dir/cubicspline.cc.o -c /build/reproducible-path/votca-2024/tools/src/libtools/cubicspline.cc -[ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/colors.cc.o -[ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/edge.cc.o -[ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/crosscorrelate.cc.o -[ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/eigenio_matrixmarket.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -Dvotca_tools_EXPORTS -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT tools/src/libtools/CMakeFiles/votca_tools.dir/application.cc.o -MF CMakeFiles/votca_tools.dir/application.cc.o.d -o CMakeFiles/votca_tools.dir/application.cc.o -c /build/reproducible-path/votca-2024/tools/src/libtools/application.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 1%] Built target csg_call_manpage +[ 1%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/akimaspline.cc.o +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -Dvotca_tools_EXPORTS -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT tools/src/libtools/CMakeFiles/votca_tools.dir/akimaspline.cc.o -MF CMakeFiles/votca_tools.dir/akimaspline.cc.o.d -o CMakeFiles/votca_tools.dir/akimaspline.cc.o -c /build/reproducible-path/votca-2024/tools/src/libtools/akimaspline.cc +[ 1%] Built target xtp_autogen_mapping_build +[ 1%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/calculator.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -Dvotca_tools_EXPORTS -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT tools/src/libtools/CMakeFiles/votca_tools.dir/calculator.cc.o -MF CMakeFiles/votca_tools.dir/calculator.cc.o.d -o CMakeFiles/votca_tools.dir/calculator.cc.o -c /build/reproducible-path/votca-2024/tools/src/libtools/calculator.cc -[ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/elements.cc.o +[ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/edge.cc.o +[ 2%] Building CXX object tools/src/libtools/CMakeFiles/votca_tools.dir/cubicspline.cc.o +[ 2%] Building CXX object 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CMakeFiles/votca_tools.dir/histogram.cc.o CMakeFiles/votca_tools.dir/histogramnew.cc.o CMakeFiles/votca_tools.dir/linalg.cc.o CMakeFiles/votca_tools.dir/linspline.cc.o CMakeFiles/votca_tools.dir/mutex.cc.o CMakeFiles/votca_tools.dir/optionshandler.cc.o CMakeFiles/votca_tools.dir/property.cc.o CMakeFiles/votca_tools.dir/propertyiomanipulator.cc.o CMakeFiles/votca_tools.dir/rangeparser.cc.o CMakeFiles/votca_tools.dir/reducededge.cc.o CMakeFiles/votca_tools.dir/reducedgraph.cc.o CMakeFiles/votca_tools.dir/spline.cc.o CMakeFiles/votca_tools.dir/table.cc.o CMakeFiles/votca_tools.dir/thread.cc.o CMakeFiles/votca_tools.dir/tokenizer.cc.o CMakeFiles/votca_tools.dir/version.cc.o /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_system.so.1.83.0 /usr/lib/x86_64-linux-gnu/libexpat.so -lm /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a @@ -3252,612 +3288,612 @@ [ 7%] Built target votca_tools make -f csg/src/libcsg/CMakeFiles/votca_csg.dir/build.make csg/src/libcsg/CMakeFiles/votca_csg.dir/depend make -f tools/src/tools/CMakeFiles/votca_property.dir/build.make tools/src/tools/CMakeFiles/votca_property.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/libcsg /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg/CMakeFiles/votca_csg.dir/DependInfo.cmake "--color=" make -f tools/src/tests/CMakeFiles/unit_test_calculator.dir/build.make tools/src/tests/CMakeFiles/unit_test_calculator.dir/depend make -f tools/src/tests/CMakeFiles/unit_test_constants.dir/build.make tools/src/tests/CMakeFiles/unit_test_constants.dir/depend make -f tools/src/tests/CMakeFiles/unit_test_correlate.dir/build.make tools/src/tests/CMakeFiles/unit_test_correlate.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build.make tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools/CMakeFiles/votca_property.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build.make tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/depend make -f tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_calculator.dir/DependInfo.cmake "--color=" make -f tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build.make tools/src/tests/CMakeFiles/unit_test_datacollection.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd 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"--color=" make -f tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_edge_base.dir/depend +make -f tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build.make tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_correlate.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build.make tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/depend +make -f 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Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build.make tools/src/tests/CMakeFiles/unit_test_filesystem.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests 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/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_base.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build.make tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_identity.dir/build.make tools/src/tests/CMakeFiles/unit_test_identity.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_linalg.dir/build.make tools/src/tests/CMakeFiles/unit_test_linalg.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu 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/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_name.dir/build.make tools/src/tests/CMakeFiles/unit_test_name.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build.make tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build.make tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests 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tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_name.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_property.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build.make tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducededge.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_thread.dir/build.make tools/src/tests/CMakeFiles/unit_test_thread.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build.make tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_random.dir/build.make tools/src/tests/CMakeFiles/unit_test_random.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_table.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_thread.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build.make tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_random.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build.make tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build.make tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests 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cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests 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/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/DependInfo.cmake "--color=" make -f tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_correlate.dir/build.make tools/src/tests/CMakeFiles/unit_test_correlate.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_constants.dir/build.make tools/src/tests/CMakeFiles/unit_test_constants.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f csg/src/libcsg/CMakeFiles/votca_csg.dir/build.make csg/src/libcsg/CMakeFiles/votca_csg.dir/build +make -f tools/src/tools/CMakeFiles/votca_property.dir/build.make tools/src/tools/CMakeFiles/votca_property.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_calculator.dir/build.make tools/src/tests/CMakeFiles/unit_test_calculator.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 7%] Building CXX object tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o +make -f tools/src/tests/CMakeFiles/unit_test_constants.dir/build.make tools/src/tests/CMakeFiles/unit_test_constants.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build.make tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build.make tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_correlate.dir/build.make tools/src/tests/CMakeFiles/unit_test_correlate.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o -MF CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o.d -o CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_cubicspline.cc +make -f tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build.make tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 9%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotifalgorithms.cc.o +[ 9%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotif.cc.o +[ 9%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadlist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotif.cc.o -MF CMakeFiles/votca_csg.dir/beadmotif.cc.o.d -o CMakeFiles/votca_csg.dir/beadmotif.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadmotif.cc +[ 9%] Building CXX object tools/src/tools/CMakeFiles/votca_property.dir/votca_property.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadlist.cc.o -MF CMakeFiles/votca_csg.dir/beadlist.cc.o.d -o CMakeFiles/votca_csg.dir/beadlist.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadlist.cc +[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_datacollection.dir/test_datacollection.cc.o +[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o +[ 9%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotifconnector.cc.o +[ 9%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadstructure.cc.o +[ 9%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/boundarycondition.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tools/CMakeFiles/votca_property.dir/votca_property.cc.o -MF CMakeFiles/votca_property.dir/votca_property.cc.o.d -o CMakeFiles/votca_property.dir/votca_property.cc.o -c /build/reproducible-path/votca-2024/tools/src/tools/votca_property.cc +[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_constants.dir/test_constants.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotifalgorithms.cc.o -MF CMakeFiles/votca_csg.dir/beadmotifalgorithms.cc.o.d -o CMakeFiles/votca_csg.dir/beadmotifalgorithms.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadmotifalgorithms.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o -MF CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o.d -o CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_calculator.cc +make -f tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build +[ 9%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotifconnector.cc.o -MF CMakeFiles/votca_csg.dir/beadmotifconnector.cc.o.d -o CMakeFiles/votca_csg.dir/beadmotifconnector.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadmotifconnector.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_datacollection.dir/test_datacollection.cc.o -MF CMakeFiles/unit_test_datacollection.dir/test_datacollection.cc.o.d -o CMakeFiles/unit_test_datacollection.dir/test_datacollection.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_datacollection.cc +make -f tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build.make tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_constants.dir/test_constants.cc.o -MF CMakeFiles/unit_test_constants.dir/test_constants.cc.o.d -o CMakeFiles/unit_test_constants.dir/test_constants.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_constants.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadstructure.cc.o -MF CMakeFiles/votca_csg.dir/beadstructure.cc.o.d -o CMakeFiles/votca_csg.dir/beadstructure.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadstructure.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o -MF CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o.d -o CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadstructurealgorithms.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/boundarycondition.cc.o -MF CMakeFiles/votca_csg.dir/boundarycondition.cc.o.d -o CMakeFiles/votca_csg.dir/boundarycondition.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/boundarycondition.cc +[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o -MF CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o.d -o CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_correlate.cc make -f tools/src/tests/CMakeFiles/unit_test_elements.dir/build.make tools/src/tests/CMakeFiles/unit_test_elements.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o -MF CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o.d -o CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_crosscorrelate.cc +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build.make tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build +[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o +make -f tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build.make tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o -MF CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o.d -o CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_edge_base.cc +[ 9%] Building CXX object tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o -MF CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o.d -o CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_edgecontainer.cc +[ 10%] Building CXX object tools/src/tests/CMakeFiles/unit_test_elements.dir/test_elements.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_elements.dir/test_elements.cc.o -MF CMakeFiles/unit_test_elements.dir/test_elements.cc.o.d -o CMakeFiles/unit_test_elements.dir/test_elements.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_elements.cc +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 11%] Building CXX object tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/test_floatingpointcomparison.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/test_floatingpointcomparison.cc.o -MF CMakeFiles/unit_test_floatingpointcomparison.dir/test_floatingpointcomparison.cc.o.d -o CMakeFiles/unit_test_floatingpointcomparison.dir/test_floatingpointcomparison.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_floatingpointcomparison.cc +[ 11%] Building CXX object tools/src/tests/CMakeFiles/unit_test_filesystem.dir/test_filesystem.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_filesystem.dir/test_filesystem.cc.o -MF CMakeFiles/unit_test_filesystem.dir/test_filesystem.cc.o.d -o CMakeFiles/unit_test_filesystem.dir/test_filesystem.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_filesystem.cc +[ 12%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/test_graphalgorithm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/test_graphalgorithm.cc.o -MF CMakeFiles/unit_test_graphalgorithm.dir/test_graphalgorithm.cc.o.d -o CMakeFiles/unit_test_graphalgorithm.dir/test_graphalgorithm.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_graphalgorithm.cc +[ 12%] Linking CXX executable unit_test_floatingpointcomparison +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_floatingpointcomparison.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_floatingpointcomparison.dir/test_floatingpointcomparison.cc.o -o unit_test_floatingpointcomparison -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 12%] Built target unit_test_floatingpointcomparison +make -f tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_base.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_base.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build.make tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build make -f tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 12%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graph_base.dir/test_graph_base.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_graph_base.dir/test_graph_base.cc.o -MF CMakeFiles/unit_test_graph_base.dir/test_graph_base.cc.o.d -o CMakeFiles/unit_test_graph_base.dir/test_graph_base.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_graph_base.cc +[ 12%] Linking CXX executable unit_test_filesystem +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_filesystem.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_filesystem.dir/test_filesystem.cc.o -o unit_test_filesystem -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 12%] Built target unit_test_filesystem +make -f tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 12%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/test_graph_bf_visitor.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/test_graph_bf_visitor.cc.o -MF CMakeFiles/unit_test_graph_bf_visitor.dir/test_graph_bf_visitor.cc.o.d -o CMakeFiles/unit_test_graph_bf_visitor.dir/test_graph_bf_visitor.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_graph_bf_visitor.cc +[ 12%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/cgengine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/cgengine.cc.o -MF CMakeFiles/votca_csg.dir/cgengine.cc.o.d -o CMakeFiles/votca_csg.dir/cgengine.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/cgengine.cc +[ 12%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/cgmoleculedef.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB 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/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_constants.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_constants.dir/test_constants.cc.o -o unit_test_constants -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 12%] Built target unit_test_constants +make -f tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 12%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/test_graph_df_visitor.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/test_graph_df_visitor.cc.o -MF CMakeFiles/unit_test_graph_df_visitor.dir/test_graph_df_visitor.cc.o.d -o CMakeFiles/unit_test_graph_df_visitor.dir/test_graph_df_visitor.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_graph_df_visitor.cc +[ 12%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/csgapplication.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/csgapplication.cc.o -MF CMakeFiles/votca_csg.dir/csgapplication.cc.o.d -o CMakeFiles/votca_csg.dir/csgapplication.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/csgapplication.cc +[ 14%] Linking CXX executable unit_test_correlate +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_correlate.dir/link.txt --verbose=1 +[ 14%] Linking CXX executable unit_test_calculator +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_calculator.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o -o unit_test_correlate -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o -o unit_test_calculator -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 15%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/exclusionlist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/exclusionlist.cc.o -MF CMakeFiles/votca_csg.dir/exclusionlist.cc.o.d -o CMakeFiles/votca_csg.dir/exclusionlist.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/exclusionlist.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 15%] Linking CXX executable unit_test_crosscorrelate +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_crosscorrelate.dir/link.txt --verbose=1 +[ 15%] Built target unit_test_calculator +make -f tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/DependInfo.cmake "--color=" +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o -o unit_test_crosscorrelate -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build +[ 15%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/imcio.cc.o +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/imcio.cc.o -MF CMakeFiles/votca_csg.dir/imcio.cc.o.d -o CMakeFiles/votca_csg.dir/imcio.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/imcio.cc +[ 15%] Built target unit_test_correlate +make -f tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphnode.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphnode.dir/DependInfo.cmake "--color=" +[ 15%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/test_graphdistvisitor.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/test_graphdistvisitor.cc.o -MF CMakeFiles/unit_test_graphdistvisitor.dir/test_graphdistvisitor.cc.o.d -o CMakeFiles/unit_test_graphdistvisitor.dir/test_graphdistvisitor.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_graphdistvisitor.cc make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 15%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graphnode.dir/test_graphnode.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_graphnode.dir/test_graphnode.cc.o -MF CMakeFiles/unit_test_graphnode.dir/test_graphnode.cc.o.d -o CMakeFiles/unit_test_graphnode.dir/test_graphnode.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_graphnode.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 15%] Built target unit_test_crosscorrelate +make -f tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 15%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/test_graphvisitor.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/test_graphvisitor.cc.o -MF CMakeFiles/unit_test_graphvisitor.dir/test_graphvisitor.cc.o.d -o CMakeFiles/unit_test_graphvisitor.dir/test_graphvisitor.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_graphvisitor.cc +[ 15%] Linking CXX executable votca_property +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/votca_property.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/votca_property.dir/votca_property.cc.o -o votca_property -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 15%] Built target votca_property +make -f tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build.make tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build.make tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build -[ 7%] Building CXX object tools/src/tools/CMakeFiles/votca_property.dir/votca_property.cc.o -make -f tools/src/tests/CMakeFiles/unit_test_identity.dir/build.make tools/src/tests/CMakeFiles/unit_test_identity.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 16%] Building CXX object tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/test_histogramnew.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/test_histogramnew.cc.o -MF CMakeFiles/unit_test_histogramnew.dir/test_histogramnew.cc.o.d -o CMakeFiles/unit_test_histogramnew.dir/test_histogramnew.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_histogramnew.cc +[ 16%] Linking CXX executable unit_test_edge_base +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_edge_base.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o -o unit_test_edge_base -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 16%] Linking CXX executable unit_test_elements +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_elements.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_elements.dir/test_elements.cc.o -o unit_test_elements -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 16%] Built target unit_test_edge_base +make -f tools/src/tests/CMakeFiles/unit_test_identity.dir/build.make tools/src/tests/CMakeFiles/unit_test_identity.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_identity.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_identity.dir/build.make tools/src/tests/CMakeFiles/unit_test_identity.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 16%] Building CXX object tools/src/tests/CMakeFiles/unit_test_identity.dir/test_identity.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_identity.dir/test_identity.cc.o -MF CMakeFiles/unit_test_identity.dir/test_identity.cc.o.d -o CMakeFiles/unit_test_identity.dir/test_identity.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_identity.cc make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 18%] Linking CXX executable unit_test_cubicspline +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_cubicspline.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o -o unit_test_cubicspline -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 18%] Built target unit_test_elements +make -f tools/src/tests/CMakeFiles/unit_test_linalg.dir/build.make tools/src/tests/CMakeFiles/unit_test_linalg.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linalg.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_linalg.dir/build.make tools/src/tests/CMakeFiles/unit_test_linalg.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 19%] Building CXX object tools/src/tests/CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o -MF CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o.d -o CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_linalg.cc +[ 19%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/map.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/map.cc.o -MF CMakeFiles/votca_csg.dir/map.cc.o.d -o CMakeFiles/votca_csg.dir/map.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/map.cc make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 19%] Built target unit_test_cubicspline +make -f tools/src/tests/CMakeFiles/unit_test_name.dir/build.make tools/src/tests/CMakeFiles/unit_test_name.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 7%] Building CXX object tools/src/tests/CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tools/CMakeFiles/votca_property.dir/votca_property.cc.o -MF CMakeFiles/votca_property.dir/votca_property.cc.o.d -o CMakeFiles/votca_property.dir/votca_property.cc.o -c /build/reproducible-path/votca-2024/tools/src/tools/votca_property.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_name.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_name.dir/build.make tools/src/tests/CMakeFiles/unit_test_name.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 20%] Building CXX object tools/src/tests/CMakeFiles/unit_test_name.dir/test_name.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_name.dir/test_name.cc.o -MF CMakeFiles/unit_test_name.dir/test_name.cc.o.d -o CMakeFiles/unit_test_name.dir/test_name.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_name.cc +[ 22%] Linking CXX executable unit_test_edgecontainer +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_edgecontainer.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o -o unit_test_edgecontainer -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 22%] Linking CXX executable unit_test_datacollection +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_datacollection.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_datacollection.dir/test_datacollection.cc.o -o unit_test_datacollection -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 22%] Built target unit_test_edgecontainer +make -f tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build.make tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_linalg.dir/build.make tools/src/tests/CMakeFiles/unit_test_linalg.dir/build -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o -MF CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o.d -o CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_calculator.cc -make -f tools/src/tests/CMakeFiles/unit_test_name.dir/build.make tools/src/tests/CMakeFiles/unit_test_name.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build.make tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o -MF CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o.d -o CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_objectfactory.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Built target unit_test_datacollection +make -f tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build.make tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build.make tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/test_optionshandler.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/test_optionshandler.cc.o -MF CMakeFiles/unit_test_optionshandler.dir/test_optionshandler.cc.o.d -o CMakeFiles/unit_test_optionshandler.dir/test_optionshandler.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_optionshandler.cc +[ 23%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/molecule.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/molecule.cc.o -MF CMakeFiles/votca_csg.dir/molecule.cc.o.d -o CMakeFiles/votca_csg.dir/molecule.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/molecule.cc +[ 23%] Linking CXX executable unit_test_name +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_name.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_name.dir/test_name.cc.o -o unit_test_name -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_property.dir/build.make tools/src/tests/CMakeFiles/unit_test_property.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build +[ 23%] Built target unit_test_name +make -f tools/src/tests/CMakeFiles/unit_test_property.dir/build.make tools/src/tests/CMakeFiles/unit_test_property.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_property.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_property.dir/build.make tools/src/tests/CMakeFiles/unit_test_property.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_property.dir/test_property.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_property.dir/test_property.cc.o -MF CMakeFiles/unit_test_property.dir/test_property.cc.o.d -o CMakeFiles/unit_test_property.dir/test_property.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_property.cc +[ 23%] Linking CXX executable unit_test_graph_bf_visitor +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_graph_bf_visitor.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graph_bf_visitor.dir/test_graph_bf_visitor.cc.o -o unit_test_graph_bf_visitor -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Built target unit_test_graph_bf_visitor +make -f tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducededge.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_reducededge.dir/test_reducededge.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_reducededge.dir/test_reducededge.cc.o -MF CMakeFiles/unit_test_reducededge.dir/test_reducededge.cc.o.d -o CMakeFiles/unit_test_reducededge.dir/test_reducededge.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_reducededge.cc +[ 23%] Linking CXX executable unit_test_graph_base +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_graph_base.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graph_base.dir/test_graph_base.cc.o -o unit_test_graph_base -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Built target unit_test_graph_base +make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/test_reducedgraph.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/test_reducedgraph.cc.o -MF CMakeFiles/unit_test_reducedgraph.dir/test_reducedgraph.cc.o.d -o CMakeFiles/unit_test_reducedgraph.dir/test_reducedgraph.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_reducedgraph.cc +[ 23%] Linking CXX executable unit_test_graphalgorithm +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_graphalgorithm.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graphalgorithm.dir/test_graphalgorithm.cc.o -o unit_test_graphalgorithm -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 23%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/nblist.cc.o +[ 23%] Linking CXX executable unit_test_identity +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/nblist.cc.o -MF CMakeFiles/votca_csg.dir/nblist.cc.o.d -o CMakeFiles/votca_csg.dir/nblist.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/nblist.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_identity.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_identity.dir/test_identity.cc.o -o unit_test_identity -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Built target unit_test_graphalgorithm +make -f tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build.make tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 7%] Building CXX object tools/src/tests/CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build.make tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/build -[ 7%] Building CXX object tools/src/tests/CMakeFiles/unit_test_datacollection.dir/test_datacollection.cc.o -[ 7%] Building CXX object tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o -[ 7%] Building CXX object tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o -make -f tools/src/tests/CMakeFiles/unit_test_thread.dir/build.make tools/src/tests/CMakeFiles/unit_test_thread.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build.make tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build -[ 7%] Building CXX object tools/src/tests/CMakeFiles/unit_test_constants.dir/test_constants.cc.o -make -f tools/src/tests/CMakeFiles/unit_test_random.dir/build.make tools/src/tests/CMakeFiles/unit_test_random.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/test_structureparameters.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/test_structureparameters.cc.o -MF CMakeFiles/unit_test_structureparameters.dir/test_structureparameters.cc.o.d -o CMakeFiles/unit_test_structureparameters.dir/test_structureparameters.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_structureparameters.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Built target unit_test_identity +make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_table.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o -MF CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o.d -o CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_cubicspline.cc +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_table.dir/test_table.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_table.dir/test_table.cc.o -MF CMakeFiles/unit_test_table.dir/test_table.cc.o.d -o CMakeFiles/unit_test_table.dir/test_table.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_table.cc +[ 23%] Linking CXX executable unit_test_linalg +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_linalg.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o -o unit_test_linalg -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Built target unit_test_linalg +make -f tools/src/tests/CMakeFiles/unit_test_thread.dir/build.make tools/src/tests/CMakeFiles/unit_test_thread.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_thread.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_thread.dir/build.make tools/src/tests/CMakeFiles/unit_test_thread.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_datacollection.dir/test_datacollection.cc.o -MF CMakeFiles/unit_test_datacollection.dir/test_datacollection.cc.o.d -o CMakeFiles/unit_test_datacollection.dir/test_datacollection.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_datacollection.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o -MF CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o.d -o CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_correlate.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o -MF CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o.d -o CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_crosscorrelate.cc +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_thread.dir/test_thread.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_thread.dir/test_thread.cc.o -MF CMakeFiles/unit_test_thread.dir/test_thread.cc.o.d -o CMakeFiles/unit_test_thread.dir/test_thread.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_thread.cc +[ 23%] Linking CXX executable unit_test_objectfactory +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_objectfactory.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o -o unit_test_objectfactory -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Built target unit_test_objectfactory +make -f tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build.make tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build.make tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Linking CXX executable unit_test_histogramnew +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_histogramnew.dir/link.txt --verbose=1 +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/test_tokenizer.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/test_tokenizer.cc.o -MF CMakeFiles/unit_test_tokenizer.dir/test_tokenizer.cc.o.d -o CMakeFiles/unit_test_tokenizer.dir/test_tokenizer.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_tokenizer.cc +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic 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tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build.make tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build.make tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build -[ 7%] Building CXX object tools/src/tests/CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o -[ 7%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotifconnector.cc.o -[ 7%] Building CXX object tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o -[ 7%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadlist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_random.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_random.dir/build.make tools/src/tests/CMakeFiles/unit_test_random.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_random.dir/test_random.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_random.dir/test_random.cc.o -MF CMakeFiles/unit_test_random.dir/test_random.cc.o.d -o CMakeFiles/unit_test_random.dir/test_random.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_random.cc +[ 23%] Linking CXX executable unit_test_graphvisitor +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_graphvisitor.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graphvisitor.dir/test_graphvisitor.cc.o -o unit_test_graphvisitor -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Built target unit_test_graphvisitor +make -f tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 7%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotif.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_constants.dir/test_constants.cc.o -MF CMakeFiles/unit_test_constants.dir/test_constants.cc.o.d -o CMakeFiles/unit_test_constants.dir/test_constants.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_constants.cc -[ 9%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotifalgorithms.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o -MF CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o.d -o CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_edgecontainer.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 10%] Building CXX object tools/src/tests/CMakeFiles/unit_test_elements.dir/test_elements.cc.o -[ 11%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/test_graphalgorithm.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o -MF CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o.d -o CMakeFiles/unit_test_edge_base.dir/test_edge_base.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_edge_base.cc -[ 11%] Building CXX object tools/src/tests/CMakeFiles/unit_test_filesystem.dir/test_filesystem.cc.o -[ 11%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graph_base.dir/test_graph_base.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadmotifconnector.cc.o -MF CMakeFiles/votca_csg.dir/beadmotifconnector.cc.o.d -o CMakeFiles/votca_csg.dir/beadmotifconnector.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadmotifconnector.cc -[ 12%] Building CXX object tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/test_floatingpointcomparison.cc.o -[ 12%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/test_graph_bf_visitor.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong 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/build/reproducible-path/votca-2024/csg/src/libcsg/beadmotif.cc -[ 12%] Building CXX object tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/test_graphdistvisitor.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion 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-I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/test_graphdistvisitor.cc.o -MF CMakeFiles/unit_test_graphdistvisitor.dir/test_graphdistvisitor.cc.o.d -o CMakeFiles/unit_test_graphdistvisitor.dir/test_graphdistvisitor.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_graphdistvisitor.cc -[ 14%] Building CXX object tools/src/tests/CMakeFiles/unit_test_identity.dir/test_identity.cc.o -[ 15%] Building CXX object tools/src/tests/CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o -[ 16%] Building CXX object 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-I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_name.dir/test_name.cc.o -MF CMakeFiles/unit_test_name.dir/test_name.cc.o.d -o CMakeFiles/unit_test_name.dir/test_name.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_name.cc -[ 18%] Building CXX object tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/test_reducedgraph.cc.o -[ 18%] Building CXX object tools/src/tests/CMakeFiles/unit_test_property.dir/test_property.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK 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-ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/test_unitconverter.cc.o -MF CMakeFiles/unit_test_unitconverter.dir/test_unitconverter.cc.o.d -o CMakeFiles/unit_test_unitconverter.dir/test_unitconverter.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_unitconverter.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/test_eigenio_matrixmarket.cc.o -MF CMakeFiles/unit_test_eigenio_matrixmarket.dir/test_eigenio_matrixmarket.cc.o.d -o CMakeFiles/unit_test_eigenio_matrixmarket.dir/test_eigenio_matrixmarket.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_eigenio_matrixmarket.cc -[ 18%] Linking CXX executable unit_test_name -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_name.dir/link.txt --verbose=1 -[ 18%] Linking CXX executable unit_test_floatingpointcomparison -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_floatingpointcomparison.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_name.dir/test_name.cc.o -o unit_test_name -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_floatingpointcomparison.dir/test_floatingpointcomparison.cc.o -o unit_test_floatingpointcomparison -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so -[ 18%] Linking CXX executable unit_test_filesystem -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_filesystem.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_filesystem.dir/test_filesystem.cc.o -o unit_test_filesystem -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 23%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/nblist_3body.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB 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object csg/src/libcsg/CMakeFiles/votca_csg.dir/nblistgrid.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/nblistgrid.cc.o -MF CMakeFiles/votca_csg.dir/nblistgrid.cc.o.d -o CMakeFiles/votca_csg.dir/nblistgrid.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/nblistgrid.cc +[ 23%] Linking CXX executable unit_test_graph_df_visitor +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_graph_df_visitor.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graph_df_visitor.dir/test_graph_df_visitor.cc.o -o unit_test_graph_df_visitor -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 18%] Built target unit_test_floatingpointcomparison -[ 18%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadstructure.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadstructure.cc.o -MF CMakeFiles/votca_csg.dir/beadstructure.cc.o.d -o CMakeFiles/votca_csg.dir/beadstructure.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadstructure.cc +[ 23%] Built target unit_test_graph_df_visitor +make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linspline.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 18%] Built target unit_test_name -[ 18%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o +make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_linspline.dir/test_linspline.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_linspline.dir/test_linspline.cc.o -MF CMakeFiles/unit_test_linspline.dir/test_linspline.cc.o.d -o CMakeFiles/unit_test_linspline.dir/test_linspline.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_linspline.cc +[ 23%] Linking CXX executable unit_test_graphdistvisitor +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_graphdistvisitor.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graphdistvisitor.dir/test_graphdistvisitor.cc.o -o unit_test_graphdistvisitor -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o -MF CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o.d -o CMakeFiles/votca_csg.dir/beadstructurealgorithms.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/beadstructurealgorithms.cc -[ 18%] Built target unit_test_filesystem -[ 18%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/boundarycondition.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/boundarycondition.cc.o -MF CMakeFiles/votca_csg.dir/boundarycondition.cc.o.d -o CMakeFiles/votca_csg.dir/boundarycondition.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/boundarycondition.cc -[ 18%] Linking CXX executable unit_test_objectfactory -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script 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Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 18%] Built target unit_test_objectfactory -[ 18%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/cgengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK 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tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 23%] Building CXX object tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/test_unitconverter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection 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-I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/nblistgrid_3body.cc.o -MF CMakeFiles/votca_csg.dir/nblistgrid_3body.cc.o.d -o CMakeFiles/votca_csg.dir/nblistgrid_3body.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/nblistgrid_3body.cc +[ 23%] Linking CXX executable unit_test_graphnode +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_graphnode.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graphnode.dir/test_graphnode.cc.o -o unit_test_graphnode -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so +[ 24%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/nematicorder.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 18%] Built target unit_test_identity -[ 18%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/cgmoleculedef.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/cgmoleculedef.cc.o -MF CMakeFiles/votca_csg.dir/cgmoleculedef.cc.o.d -o CMakeFiles/votca_csg.dir/cgmoleculedef.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/cgmoleculedef.cc -[ 18%] Linking CXX executable unit_test_thread +[ 24%] Built target unit_test_graphnode +make -f tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build.make tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build.make tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 24%] Building CXX object tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/test_NDimVector.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/test_NDimVector.cc.o -MF CMakeFiles/unit_test_NDimVector.dir/test_NDimVector.cc.o.d -o CMakeFiles/unit_test_NDimVector.dir/test_NDimVector.cc.o -c /build/reproducible-path/votca-2024/tools/src/tests/test_NDimVector.cc +[ 24%] Linking CXX executable unit_test_thread cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_thread.dir/link.txt --verbose=1 -[ 18%] Linking CXX executable unit_test_unitconverter -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_unitconverter.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_thread.dir/test_thread.cc.o -o unit_test_thread -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_unitconverter.dir/test_unitconverter.cc.o -o unit_test_unitconverter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 18%] Built target unit_test_unitconverter -[ 18%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/csgapplication.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_REGEX_DYN_LINK -DBOOST_REGEX_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DGMX_DOUBLE=1 -DTMPI_USE_VISIBILITY -Dvotca_csg_EXPORTS -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT 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-I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT csg/src/libcsg/CMakeFiles/votca_csg.dir/exclusionlist.cc.o -MF CMakeFiles/votca_csg.dir/exclusionlist.cc.o.d -o CMakeFiles/votca_csg.dir/exclusionlist.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/exclusionlist.cc -[ 19%] Linking CXX executable unit_test_calculator -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_calculator.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. 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tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build.make tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build.make tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 24%] Building CXX object tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/test_eigenio_matrixmarket.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DTOOLS_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/tools/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow 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-ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_table.dir/test_table.cc.o -o unit_test_table -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so -[ 28%] Built target unit_test_reducededge [ 28%] Building CXX object csg/src/libcsg/CMakeFiles/votca_csg.dir/modules/io/groreader.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB 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csg/src/libcsg/CMakeFiles/votca_csg.dir/modules/io/lammpsdatareader.cc.o -MF CMakeFiles/votca_csg.dir/modules/io/lammpsdatareader.cc.o.d -o CMakeFiles/votca_csg.dir/modules/io/lammpsdatareader.cc.o -c /build/reproducible-path/votca-2024/csg/src/libcsg/modules/io/lammpsdatareader.cc -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_graph_bf_visitor.dir/test_graph_bf_visitor.cc.o -o unit_test_graph_bf_visitor -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a 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/usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libfftw3.so @@ -3868,479 +3904,134 @@ make -f csg/src/tools/CMakeFiles/csg_reupdate.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate.dir/depend make -f csg/src/tools/CMakeFiles/csg_map.dir/build.make csg/src/tools/CMakeFiles/csg_map.dir/depend make -f csg/src/tools/CMakeFiles/csg_dump.dir/build.make csg/src/tools/CMakeFiles/csg_dump.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f csg/src/tools/CMakeFiles/csg_property.dir/build.make csg/src/tools/CMakeFiles/csg_property.dir/depend make -f csg/src/tools/CMakeFiles/csg_resample.dir/build.make csg/src/tools/CMakeFiles/csg_resample.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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"Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/DependInfo.cmake "--color=" -make -f csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build.make csg/src/tests/CMakeFiles/unit_test_triplelist.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests 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cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_triplelist.dir/DependInfo.cmake "--color=" +make -f csg/src/csgapps/CMakeFiles/orientcorr.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr.dir/depend make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 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-I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/part_dist.dir/part_dist/part_dist.cc.o -MF CMakeFiles/part_dist.dir/part_dist/part_dist.cc.o.d -o CMakeFiles/part_dist.dir/part_dist/part_dist.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/part_dist/part_dist.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/partial_rdf.dir/partial_rdf/partial_rdf.cc.o -MF CMakeFiles/partial_rdf.dir/partial_rdf/partial_rdf.cc.o.d -o CMakeFiles/partial_rdf.dir/partial_rdf/partial_rdf.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/partial_rdf/partial_rdf.cc +[ 33%] Building CXX object csg/src/tools/CMakeFiles/csg_property.dir/csg_property.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tools/CMakeFiles/csg_dlptopol.dir/csg_dlptopol.cc.o -MF CMakeFiles/csg_dlptopol.dir/csg_dlptopol.cc.o.d -o CMakeFiles/csg_dlptopol.dir/csg_dlptopol.cc.o -c /build/reproducible-path/votca-2024/csg/src/tools/csg_dlptopol.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tools/CMakeFiles/csg_property.dir/csg_property.cc.o -MF CMakeFiles/csg_property.dir/csg_property.cc.o.d -o CMakeFiles/csg_property.dir/csg_property.cc.o -c /build/reproducible-path/votca-2024/csg/src/tools/csg_property.cc +[ 35%] Building CXX object csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o -MF CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o.d -o CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o -c /build/reproducible-path/votca-2024/csg/src/csg_boltzmann/bondedstatistics.cc +[ 35%] Building CXX object csg/src/tools/CMakeFiles/csg_imc_solve.dir/csg_imc_solve.cc.o cd 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-I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_bead.dir/test_bead.cc.o -MF CMakeFiles/unit_test_bead.dir/test_bead.cc.o.d -o CMakeFiles/unit_test_bead.dir/test_bead.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_bead.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include 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-I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o -MF CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o.d -o CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_beadstructure_algorithms.cc -[ 33%] Building CXX object 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-I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/IndexParser.cc.o -MF CMakeFiles/votca_xtp.dir/IndexParser.cc.o.d -o CMakeFiles/votca_xtp.dir/IndexParser.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/IndexParser.cc -[ 37%] Linking CXX executable unit_test_boundarycondition -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_boundarycondition.dir/link.txt --verbose=1 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/usr/bin/cmake -E cmake_link_script CMakeFiles/csg_property.dir/link.txt --verbose=1 -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_property.dir/csg_property.cc.o -o csg_property -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 37%] Built target unit_test_boundarycondition -[ 38%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/activedensitymatrix.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/activedensitymatrix.cc.o -MF CMakeFiles/votca_xtp.dir/activedensitymatrix.cc.o.d -o CMakeFiles/votca_xtp.dir/activedensitymatrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/activedensitymatrix.cc -[ 40%] Linking CXX executable csg_resample -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_resample.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_resample.dir/csg_resample.cc.o -o csg_resample -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target csg_property -[ 40%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/anderson_mixing.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS 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CMakeFiles/votca_xtp.dir/anderson_mixing.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/anderson_mixing.cc -[ 40%] Linking CXX executable unit_test_beadstructure_algorithms -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadstructure_algorithms.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o -o unit_test_beadstructure_algorithms -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 40%] Linking CXX executable unit_test_beadmotif_connector -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadmotif_connector.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o -o unit_test_beadmotif_connector -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target csg_resample -[ 40%] Building CXX object csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o -MF CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o.d -o CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o -c /build/reproducible-path/votca-2024/csg/src/csg_boltzmann/stdanalysis.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target unit_test_beadstructure_algorithms -make -f csg/src/tools/CMakeFiles/csg_property_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_property_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_property_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_property_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_property_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Building csg_property manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --format groff --out csg_property.man -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target csg_property_manpage -make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_resample_manpage.dir/DependInfo.cmake "--color=" -[ 40%] Building CXX object csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -MF CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o.d -o CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -c /build/reproducible-path/votca-2024/csg/src/csg_boltzmann/tabulatedpotential.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Building csg_resample manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_resample --format groff --out csg_resample.man -[ 40%] Built target unit_test_beadmotif_connector -[ 40%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aobasis.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aobasis.cc.o -MF CMakeFiles/votca_xtp.dir/aobasis.cc.o.d -o CMakeFiles/votca_xtp.dir/aobasis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aobasis.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target csg_resample_manpage -[ 40%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aoecp.cc.o +[ 35%] Building CXX object csg/src/csgapps/CMakeFiles/orientcorr.dir/orientcorr/orientcorr.cc.o +[ 35%] Building CXX object csg/src/csgapps/CMakeFiles/fluctuations.dir/fluctuations/fluctuations.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/fluctuations.dir/fluctuations/fluctuations.cc.o -MF CMakeFiles/fluctuations.dir/fluctuations/fluctuations.cc.o.d -o CMakeFiles/fluctuations.dir/fluctuations/fluctuations.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/fluctuations/fluctuations.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/orientcorr.dir/orientcorr/orientcorr.cc.o -MF CMakeFiles/orientcorr.dir/orientcorr/orientcorr.cc.o.d -o CMakeFiles/orientcorr.dir/orientcorr/orientcorr.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/orientcorr/orientcorr.cc +[ 35%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aoecp.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK 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-fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aoecp.cc.o -MF CMakeFiles/votca_xtp.dir/aomatrices/aoecp.cc.o.d -o CMakeFiles/votca_xtp.dir/aomatrices/aoecp.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aoecp.cc -[ 40%] Linking CXX executable csg_dump -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_dump.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_dump.dir/csg_dump.cc.o -o csg_dump -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 40%] Linking CXX executable unit_test_beadmotif_base -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadmotif_base.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o -o unit_test_beadmotif_base -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools 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-Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aomatrix.cc.o -MF CMakeFiles/votca_xtp.dir/aomatrices/aomatrix.cc.o.d -o CMakeFiles/votca_xtp.dir/aomatrices/aomatrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aomatrix.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 40%] Built target csg_dump_manpage -[ 40%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aomultipole.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include 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../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 41%] Linking CXX executable unit_test_beadtriple -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadtriple.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadtriple.dir/test_beadtriple.cc.o -o unit_test_beadtriple -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools 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-[ 41%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aoplanewave.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 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-Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/atom.cc.o -MF CMakeFiles/votca_xtp.dir/atom.cc.o.d -o CMakeFiles/votca_xtp.dir/atom.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/atom.cc -[ 42%] Linking CXX executable unit_test_bead -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bead.dir/link.txt --verbose=1 -[ 42%] Linking CXX executable unit_test_pdbreader -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bead.dir/test_bead.cc.o -o unit_test_bead 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unit_test_pdbreader -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 42%] Linking CXX executable unit_test_lammpsdatareader -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_lammpsdatareader.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion 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-isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/basisset.cc.o -MF CMakeFiles/votca_xtp.dir/basisset.cc.o.d -o CMakeFiles/votca_xtp.dir/basisset.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/basisset.cc -[ 44%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/bsecoupling.cc.o -[ 44%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/eanalyze.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/bsecoupling.cc.o -MF CMakeFiles/votca_xtp.dir/bsecoupling.cc.o.d -o CMakeFiles/votca_xtp.dir/bsecoupling.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/bsecoupling.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 44%] Built target radii_manpage -[ 44%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/einternal.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/einternal.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/einternal.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/einternal.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/einternal.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, @@ -4355,6 +4046,18 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/aobasis.cc:23: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4396,39 +4099,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 44%] Built target unit_test_nblist_3body -[ 44%] Built target csg_density -make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_density_manpage.dir/DependInfo.cmake "--color=" -[ 45%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/ianalyze.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 45%] Building csg_density manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_density --format groff --out csg_density.man -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/aobasis.cc:23: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 46%] Linking CXX executable unit_test_beadmotif_algorithms -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadmotif_algorithms.dir/link.txt --verbose=1 -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o -o unit_test_beadmotif_algorithms -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 46%] Built target csg_density_manpage -[ 46%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmclifetime.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4470,9 +4140,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 46%] Linking CXX executable sphericalorder/csg_sphericalorder -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/sphericalorder.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/sphericalorder.dir/sphericalorder/sphericalorder.cc.o -o sphericalorder/csg_sphericalorder -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4522,21 +4189,26 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aoecp.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 35%] Building CXX object csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o -MF CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o.d -o CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o -c /build/reproducible-path/votca-2024/csg/src/csg_boltzmann/stdanalysis.cc +[ 35%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aomatrix.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aomatrix.cc.o -MF CMakeFiles/votca_xtp.dir/aomatrices/aomatrix.cc.o.d -o CMakeFiles/votca_xtp.dir/aomatrices/aomatrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aomatrix.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4551,6 +4223,70 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 35%] Linking CXX executable csg_property +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_property.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_property.dir/csg_property.cc.o -o csg_property -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 35%] Built target csg_property +make -f csg/src/csgapps/CMakeFiles/part_dist.dir/build.make csg/src/csgapps/CMakeFiles/part_dist.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/part_dist.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/part_dist.dir/build.make csg/src/csgapps/CMakeFiles/part_dist.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 36%] Linking CXX executable csg_resample +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_resample.dir/link.txt --verbose=1 +[ 36%] Building CXX object csg/src/csgapps/CMakeFiles/part_dist.dir/part_dist/part_dist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/part_dist.dir/part_dist/part_dist.cc.o -MF CMakeFiles/part_dist.dir/part_dist/part_dist.cc.o.d -o CMakeFiles/part_dist.dir/part_dist/part_dist.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/part_dist/part_dist.cc +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_resample.dir/csg_resample.cc.o -o csg_resample -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 36%] Built target csg_resample +make -f csg/src/csgapps/CMakeFiles/partial_rdf.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/partial_rdf.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/partial_rdf.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 36%] Building CXX object csg/src/csgapps/CMakeFiles/partial_rdf.dir/partial_rdf/partial_rdf.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/partial_rdf.dir/partial_rdf/partial_rdf.cc.o -MF CMakeFiles/partial_rdf.dir/partial_rdf/partial_rdf.cc.o.d -o CMakeFiles/partial_rdf.dir/partial_rdf/partial_rdf.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/partial_rdf/partial_rdf.cc +[ 36%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aomultipole.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aomultipole.cc.o -MF CMakeFiles/votca_xtp.dir/aomatrices/aomultipole.cc.o.d -o CMakeFiles/votca_xtp.dir/aomatrices/aomultipole.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aomultipole.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' @@ -4567,6 +4303,35 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 36%] Linking CXX executable csg_dump +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_dump.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_dump.dir/csg_dump.cc.o -o csg_dump -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 36%] Built target csg_dump +make -f csg/src/csgapps/CMakeFiles/radii.dir/build.make csg/src/csgapps/CMakeFiles/radii.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/radii.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/radii.dir/build.make csg/src/csgapps/CMakeFiles/radii.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 36%] Building CXX object csg/src/csgapps/CMakeFiles/radii.dir/radii/radii.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/radii.dir/radii/radii.cc.o -MF CMakeFiles/radii.dir/radii/radii.cc.o.d -o CMakeFiles/radii.dir/radii/radii.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/radii/radii.cc +[ 36%] Building CXX object csg/src/tools/CMakeFiles/csg_stat.dir/csg_stat_imc.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tools/CMakeFiles/csg_stat.dir/csg_stat_imc.cc.o -MF CMakeFiles/csg_stat.dir/csg_stat_imc.cc.o.d -o CMakeFiles/csg_stat.dir/csg_stat_imc.cc.o -c /build/reproducible-path/votca-2024/csg/src/tools/csg_stat_imc.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aoecp.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4608,26 +4373,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 46%] Built target sphericalorder -[ 46%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmcmultiple.cc -[ 46%] Built target unit_test_beadmotif_algorithms -make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/DependInfo.cmake "--color=" -[ 46%] Linking CXX executable csg_gmxtopol +[ 36%] Linking CXX executable csg_gmxtopol cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_gmxtopol.dir/link.txt --verbose=1 -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_gmxtopol.dir/csg_gmxtopol.cc.o -o csg_gmxtopol -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 46%] Building csg_sphericalorder manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name sphericalorder/csg_sphericalorder --format groff --out sphericalorder.man -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 46%] Built target sphericalorder_manpage -[ 46%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/neighborlist.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4642,47 +4389,40 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/usr/bin/c++ -g -O2 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CMakeFiles/template_threaded.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/template_threaded.dir/template_threaded.cc.o -o template_threaded -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../../src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 46%] Built target csg_gmxtopol -make -f csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/depend +[ 36%] Built target csg_gmxtopol +make -f csg/src/csgapps/CMakeFiles/sphericalorder.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu 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csg/src/csgapps/CMakeFiles/sphericalorder.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 46%] Building csg_gmxtopol manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_gmxtopol --format groff --out csg_gmxtopol.man -[ 46%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/vaverage.cc.o -[ 46%] Linking CXX executable unit_test_csg_topology -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp 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csg/src/csgapps/CMakeFiles/sphericalorder.dir/sphericalorder/sphericalorder.cc.o -MF CMakeFiles/sphericalorder.dir/sphericalorder/sphericalorder.cc.o.d -o CMakeFiles/sphericalorder.dir/sphericalorder/sphericalorder.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/sphericalorder/sphericalorder.cc +[ 37%] Linking CXX executable csg_dlptopol +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_dlptopol.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_dlptopol.dir/csg_dlptopol.cc.o -o csg_dlptopol 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CMakeFiles/part_dist.dir/part_dist/part_dist.cc.o -o part_dist/csg_part_dist -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 37%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aopotential.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include 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/build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aopotential.cc make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 48%] Built target template_threaded -[ 48%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/classicalsegment.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/classicalsegment.cc.o -MF CMakeFiles/votca_xtp.dir/classicalsegment.cc.o.d -o CMakeFiles/votca_xtp.dir/classicalsegment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/classicalsegment.cc +[ 37%] Linking CXX executable fluctuations/csg_fluctuations +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/fluctuations.dir/link.txt --verbose=1 In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, @@ -4697,10 +4437,16 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/fluctuations.dir/fluctuations/fluctuations.cc.o -o fluctuations/csg_fluctuations -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 37%] Built target csg_map +make -f csg/src/tests/CMakeFiles/unit_test_bead.dir/build.make csg/src/tests/CMakeFiles/unit_test_bead.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bead.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 48%] Built target unit_test_csg_topology -[ 48%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/couplingbase.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/couplingbase.cc.o -MF CMakeFiles/votca_xtp.dir/couplingbase.cc.o.d -o CMakeFiles/votca_xtp.dir/couplingbase.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/couplingbase.cc +make -f csg/src/tests/CMakeFiles/unit_test_bead.dir/build.make csg/src/tests/CMakeFiles/unit_test_bead.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 37%] Building CXX object csg/src/tests/CMakeFiles/unit_test_bead.dir/test_bead.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_bead.dir/test_bead.cc.o -MF CMakeFiles/unit_test_bead.dir/test_bead.cc.o.d -o CMakeFiles/unit_test_bead.dir/test_bead.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_bead.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4742,18 +4488,117 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 37%] Linking CXX executable csg_density +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_density.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_density.dir/csg_density.cc.o -o csg_density -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 37%] Linking CXX executable orientcorr/csg_orientcorr +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/orientcorr.dir/link.txt --verbose=1 make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 48%] Linking CXX executable unit_test_nblistgrid_3body -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_nblistgrid_3body.dir/link.txt --verbose=1 -[ 48%] Built target unit_test_triplelist -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o -o unit_test_nblistgrid_3body -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 48%] Linking CXX executable traj_force/csg_traj_force +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/orientcorr.dir/orientcorr/orientcorr.cc.o -o orientcorr/csg_orientcorr -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 37%] Built target fluctuations +make -f csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 37%] Building CXX object csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/test_beadtriple.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/test_beadtriple.cc.o -MF CMakeFiles/unit_test_beadtriple.dir/test_beadtriple.cc.o.d -o CMakeFiles/unit_test_beadtriple.dir/test_beadtriple.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_beadtriple.cc +[ 37%] Built target csg_density +make -f csg/src/tests/CMakeFiles/unit_test_basebead.dir/build.make csg/src/tests/CMakeFiles/unit_test_basebead.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_basebead.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_basebead.dir/build.make csg/src/tests/CMakeFiles/unit_test_basebead.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 37%] Building CXX object csg/src/tests/CMakeFiles/unit_test_basebead.dir/test_basebead.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_basebead.dir/test_basebead.cc.o -MF CMakeFiles/unit_test_basebead.dir/test_basebead.cc.o.d -o CMakeFiles/unit_test_basebead.dir/test_basebead.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_basebead.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 37%] Built target orientcorr +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 37%] Building CXX object csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o -MF CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o.d -o CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_beadmotif_algorithms.cc +[ 38%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aotransform.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aomatrices/aotransform.cc.o -MF CMakeFiles/votca_xtp.dir/aomatrices/aotransform.cc.o.d -o CMakeFiles/votca_xtp.dir/aomatrices/aotransform.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aotransform.cc +[ 38%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aoshell.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/aoshell.cc.o -MF CMakeFiles/votca_xtp.dir/aoshell.cc.o.d -o CMakeFiles/votca_xtp.dir/aoshell.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/aoshell.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aopotential.cc:21: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aoplanewave.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -4763,13 +4608,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/traj_force.dir/link.txt --verbose=1 -[ 49%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o -MF CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o.d -o CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/cubefile_writer.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/traj_force.dir/traj_force/traj_force.cc.o -o traj_force/csg_traj_force -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 49%] Linking CXX executable orientcorr/csg_orientcorr -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/orientcorr.dir/link.txt --verbose=1 In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4811,31 +4649,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/orientcorr.dir/orientcorr/orientcorr.cc.o -o orientcorr/csg_orientcorr -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 49%] Built target csg_map -[ 49%] Built target unit_test_interaction -make -f csg/src/tools/CMakeFiles/csg_map_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_map_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_map_manpage.dir/DependInfo.cmake "--color=" -[ 49%] Built target unit_test_lammpsdumpreaderwriter -[ 49%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o -MF CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o.d -o CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/davidsonsolver.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_map_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_map_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 49%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftcoupling.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftcoupling.cc.o -MF CMakeFiles/votca_xtp.dir/dftcoupling.cc.o.d -o CMakeFiles/votca_xtp.dir/dftcoupling.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftcoupling.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 49%] Building csg_map manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_map --format groff --out csg_map.man -[ 49%] Linking CXX executable fluctuations/csg_fluctuations -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/fluctuations.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/fluctuations.dir/fluctuations/fluctuations.cc.o -o fluctuations/csg_fluctuations -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 49%] Built target csg_map_manpage -[ 49%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/ERIs.cc +[ 38%] Building CXX object csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -MF CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o.d -o CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -c /build/reproducible-path/votca-2024/csg/src/csg_boltzmann/tabulatedpotential.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4850,17 +4665,11 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 49%] Built target part_dist -make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aoplanewave.cc:21: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/aomatrices/aopotential.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -4870,9 +4679,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 49%] Building csg_part_dist manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name part_dist/csg_part_dist --format groff --out part_dist.man In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4914,76 +4720,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 49%] Built target unit_test_nblistgrid_3body -[ 49%] Built target part_dist_manpage -[ 49%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o -[ 49%] Built target traj_force -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/adiis.cc -make -f csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build.make csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/DependInfo.cmake "--color=" -[ 49%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/convergenceacc.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build.make csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 49%] Building csg_traj_force manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name traj_force/csg_traj_force --format groff --out traj_force.man /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -4998,21 +4734,7 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 49%] Built target orientcorr -make -f csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 49%] Building csg_orientcorr manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name orientcorr/csg_orientcorr --format groff --out orientcorr.man -[ 50%] Linking CXX executable csg_dlptopol -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_dlptopol.dir/link.txt --verbose=1 -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_dlptopol.dir/csg_dlptopol.cc.o -o csg_dlptopol -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/atom.cc:25: +In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/aoshell.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -5022,18 +4744,117 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 50%] Built target traj_force_manpage +[ 38%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/atom.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/atom.cc.o -MF CMakeFiles/votca_xtp.dir/atom.cc.o.d -o CMakeFiles/votca_xtp.dir/atom.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/atom.cc +[ 38%] Linking CXX executable radii/csg_radii +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/radii.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/radii.dir/radii/radii.cc.o -o radii/csg_radii -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 40%] Linking CXX executable part_dist/csg_part_dist +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/part_dist.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/part_dist.dir/part_dist/part_dist.cc.o -o part_dist/csg_part_dist -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 40%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/basisset.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK 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CMakeFiles/votca_xtp.dir/basisset.cc.o.d -o CMakeFiles/votca_xtp.dir/basisset.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/basisset.cc make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/dftengine.cc -[ 50%] Built target fluctuations -[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o +[ 40%] Built target radii +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/DependInfo.cmake "--color=" +[ 40%] Building CXX object csg/src/csgapps/CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csgapps/CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o -MF CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o.d -o CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o -c /build/reproducible-path/votca-2024/csg/src/csgapps/partial_rdf/rdf_calculator.cc make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK 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xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/diis.cc -[ 50%] Built target orientcorr_manpage -[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/embeddingengine.cc -In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/aoshell.cc:24: +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Building CXX object csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o -MF CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o.d -o CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_beadmotif_base.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Built target part_dist +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Building CXX object csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o -MF CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o.d -o CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_beadmotif_connector.cc +[ 40%] Linking CXX executable csg_reupdate +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_reupdate.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_reupdate.dir/csg_reupdate.cc.o -o csg_reupdate -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 40%] Linking CXX executable sphericalorder/csg_sphericalorder +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/sphericalorder.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/sphericalorder.dir/sphericalorder/sphericalorder.cc.o -o sphericalorder/csg_sphericalorder -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 40%] Linking CXX executable unit_test_beadtriple +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadtriple.dir/link.txt --verbose=1 +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadtriple.dir/test_beadtriple.cc.o -o unit_test_beadtriple -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 40%] Built target sphericalorder +make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Built target csg_reupdate +[ 40%] Building CXX object csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/test_beadstructure_base.cc.o +make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/test_beadstructure_base.cc.o -MF CMakeFiles/unit_test_beadstructure_base.dir/test_beadstructure_base.cc.o.d -o CMakeFiles/unit_test_beadstructure_base.dir/test_beadstructure_base.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_beadstructure_base.cc +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Building CXX object csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o -MF CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o.d -o CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_beadstructure_algorithms.cc +[ 40%] Linking CXX executable unit_test_bead +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bead.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bead.dir/test_bead.cc.o -o unit_test_bead -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Built target unit_test_beadtriple +make -f csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build.make csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build.make csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Building CXX object csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/test_csg_topology.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/test_csg_topology.cc.o -MF CMakeFiles/unit_test_csg_topology.dir/test_csg_topology.cc.o.d -o CMakeFiles/unit_test_csg_topology.dir/test_csg_topology.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_csg_topology.cc +[ 40%] Linking CXX executable unit_test_basebead +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_basebead.dir/link.txt --verbose=1 +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Built target unit_test_bead +make -f csg/src/tests/CMakeFiles/unit_test_interaction.dir/build.make csg/src/tests/CMakeFiles/unit_test_interaction.dir/depend +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_basebead.dir/test_basebead.cc.o -o unit_test_basebead -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_interaction.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_interaction.dir/build.make csg/src/tests/CMakeFiles/unit_test_interaction.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 41%] Building CXX object csg/src/tests/CMakeFiles/unit_test_interaction.dir/test_interaction.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_interaction.dir/test_interaction.cc.o -MF CMakeFiles/unit_test_interaction.dir/test_interaction.cc.o.d -o CMakeFiles/unit_test_interaction.dir/test_interaction.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_interaction.cc +[ 41%] Linking CXX executable traj_force/csg_traj_force +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/traj_force.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/traj_force.dir/traj_force/traj_force.cc.o -o traj_force/csg_traj_force -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 41%] Built target unit_test_basebead +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 41%] Building CXX object csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o -MF CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o.d -o CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_lammpsdatareader.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 41%] Built target traj_force +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 41%] Building CXX object csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o -MF CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o.d -o CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_lammpsdumpreaderwriter.cc +In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/atom.cc:25: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -5043,32 +4864,109 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o -MF CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o.d -o CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/ecpaobasis.cc +[ 41%] Linking CXX executable csg_stat +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_stat.dir/link.txt --verbose=1 make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 51%] Built target csg_dlptopol -make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/depend +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_stat.dir/csg_stat.cc.o CMakeFiles/csg_stat.dir/csg_stat_imc.cc.o -o csg_stat -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 41%] Built target votca_csg_boltzmann +make -f csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build +make -f csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 51%] Building csg_fluctuations manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name fluctuations/csg_fluctuations --format groff --out fluctuations.man +[ 41%] Building CXX object csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/test_nblist_3body.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/test_nblist_3body.cc.o -MF CMakeFiles/unit_test_nblist_3body.dir/test_nblist_3body.cc.o.d -o CMakeFiles/unit_test_nblist_3body.dir/test_nblist_3body.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_nblist_3body.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 41%] Built target csg_stat +make -f csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 41%] Building CXX object csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o -MF CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o.d -o CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_nblistgrid_3body.cc +[ 41%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/bfgs_trm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/bfgs_trm.cc.o -MF CMakeFiles/votca_xtp.dir/bfgs_trm.cc.o.d -o CMakeFiles/votca_xtp.dir/bfgs_trm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/bfgs_trm.cc +[ 41%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/bsecoupling.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/bsecoupling.cc.o -MF CMakeFiles/votca_xtp.dir/bsecoupling.cc.o.d -o CMakeFiles/votca_xtp.dir/bsecoupling.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/bsecoupling.cc +[ 41%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/eanalyze.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/eanalyze.cc +[ 42%] Linking CXX executable unit_test_beadmotif_algorithms +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadmotif_algorithms.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o -o unit_test_beadmotif_algorithms -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 42%] Linking CXX executable csg_imc_solve +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_imc_solve.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_imc_solve.dir/csg_imc_solve.cc.o -o csg_imc_solve -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 42%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/einternal.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/einternal.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/einternal.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/einternal.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/einternal.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Built target unit_test_beadmotif_algorithms +make -f csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build.make csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build.make csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Building CXX object csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o -MF CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o.d -o CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_boundarycondition.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Built target csg_imc_solve +make -f csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build.make csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build.make csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Building CXX object csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/test_pdbreader.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/test_pdbreader.cc.o -MF CMakeFiles/unit_test_pdbreader.dir/test_pdbreader.cc.o.d -o CMakeFiles/unit_test_pdbreader.dir/test_pdbreader.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_pdbreader.cc +[ 42%] Linking CXX executable csg_fmatch +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_fmatch.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_fmatch.dir/csg_fmatch.cc.o -o csg_fmatch -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 44%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/ianalyze.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/ianalyze.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 44%] Built target csg_fmatch +make -f csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build.make csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build.make csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 44%] Building CXX object csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o -MF CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o.d -o CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_tabulatedpotential.cc +[ 44%] Linking CXX executable unit_test_beadstructure_algorithms +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadstructure_algorithms.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o -o unit_test_beadstructure_algorithms -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 44%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/kmclifetime.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmclifetime.cc +[ 44%] Linking CXX executable unit_test_beadmotif_base +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadmotif_base.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o -o unit_test_beadmotif_base -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 44%] Built target unit_test_beadstructure_algorithms +make -f csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build.make csg/src/tests/CMakeFiles/unit_test_triplelist.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_triplelist.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build.make csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 45%] Building CXX object csg/src/tests/CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o -MF CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o.d -o CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_triplelist.cc +[ 45%] Linking CXX executable unit_test_beadmotif_connector +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadmotif_connector.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o -o unit_test_beadmotif_connector -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 45%] Built target unit_test_beadmotif_base +make -f csg/share/template/CMakeFiles/template_serial.dir/build.make csg/share/template/CMakeFiles/template_serial.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_serial.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/share/template/CMakeFiles/template_serial.dir/build.make csg/share/template/CMakeFiles/template_serial.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 45%] Building CXX object csg/share/template/CMakeFiles/template_serial.dir/template_serial.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/share/template/CMakeFiles/template_serial.dir/template_serial.cc.o -MF CMakeFiles/template_serial.dir/template_serial.cc.o.d -o CMakeFiles/template_serial.dir/template_serial.cc.o -c /build/reproducible-path/votca-2024/csg/share/template/template_serial.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, @@ -5128,13 +5026,16 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 51%] Linking CXX executable partial_rdf/csg_partial_rdf -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/partial_rdf.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/partial_rdf.dir/partial_rdf/partial_rdf.cc.o CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o -o partial_rdf/csg_partial_rdf -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 51%] Built target fluctuations_manpage -[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o -MF CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o.d -o CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/ecpbasisset.cc +[ 45%] Built target unit_test_beadmotif_connector +make -f csg/share/template/CMakeFiles/template_threaded.dir/build.make csg/share/template/CMakeFiles/template_threaded.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_threaded.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/share/template/CMakeFiles/template_threaded.dir/build.make csg/share/template/CMakeFiles/template_threaded.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 45%] Building CXX object csg/share/template/CMakeFiles/template_threaded.dir/template_threaded.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/share/template/CMakeFiles/template_threaded.dir/template_threaded.cc.o -MF CMakeFiles/template_threaded.dir/template_threaded.cc.o.d -o CMakeFiles/template_threaded.dir/template_threaded.cc.o -c /build/reproducible-path/votca-2024/csg/share/template/template_threaded.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5149,63 +5050,24 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/eeinteractor.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/eeinteractor.cc.o -MF CMakeFiles/votca_xtp.dir/eeinteractor.cc.o.d -o CMakeFiles/votca_xtp.dir/eeinteractor.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/eeinteractor.cc -[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/erdiabatization.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/erdiabatization.cc.o -MF CMakeFiles/votca_xtp.dir/erdiabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/erdiabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/erdiabatization.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +[ 46%] Linking CXX executable unit_test_beadstructure_base +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_beadstructure_base.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_beadstructure_base.dir/test_beadstructure_base.cc.o -o unit_test_beadstructure_base -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 46%] Built target unit_test_beadstructure_base +make -f csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 46%] Building csg_reupdate manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_reupdate --format groff --out csg_reupdate.man make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 46%] Built target csg_reupdate_manpage +make -f csg/src/tools/CMakeFiles/csg_map_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_map_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_map_manpage.dir/DependInfo.cmake "--color=" /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -5242,11 +5104,6 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -[ 51%] Built target partial_rdf -make -f csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/DependInfo.cmake "--color=" -make -f csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/depend /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' @@ -5263,10 +5120,18 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_map_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_map_manpage.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/DependInfo.cmake "--color=" +[ 46%] Building csg_map manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_map --format groff --out csg_map.man make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build +[ 46%] Built target csg_map_manpage +make -f csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dump_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dump_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, @@ -5285,13 +5150,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 51%] Building csg_dlptopol manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dlptopol --format groff --out csg_dlptopol.man -[ 51%] Building csg_partial_rdf manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name partial_rdf/csg_partial_rdf --format groff --out partial_rdf.man +[ 46%] Building csg_dump manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --format groff --out csg_dump.man In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5333,30 +5193,36 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:32: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 51%] Linking CXX executable csg_stat -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_stat.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_stat.dir/csg_stat.cc.o CMakeFiles/csg_stat.dir/csg_stat_imc.cc.o -o csg_stat -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 46%] Built target csg_dump_manpage +make -f csg/src/tools/CMakeFiles/csg_property_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_property_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_property_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_property_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_property_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 46%] Building csg_property manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --format groff --out csg_property.man +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/ianalyze.cc:27: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/bsecoupling.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -5366,8 +5232,15 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 51%] Built target partial_rdf_manpage +[ 46%] Built target csg_property_manpage +make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_resample_manpage.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 46%] Building csg_resample manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_resample --format groff --out csg_resample.man In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5383,7 +5256,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/esp2multipole.cc.o /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -5410,33 +5282,29 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/esp2multipole.cc.o -MF CMakeFiles/votca_xtp.dir/esp2multipole.cc.o.d -o CMakeFiles/votca_xtp.dir/esp2multipole.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/esp2multipole.cc -[ 51%] Built target csg_dlptopol_manpage -[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/espfit.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/espfit.cc.o -MF CMakeFiles/votca_xtp.dir/espfit.cc.o.d -o CMakeFiles/votca_xtp.dir/espfit.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/espfit.cc -[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/calculatorfactory.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 46%] Built target csg_resample_manpage +make -f csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_stat_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_stat_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Building csg_stat manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_stat --format groff --out csg_stat.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Built target csg_stat_manpage +make -f csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/DependInfo.cmake "--color=" In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmclifetime.cc:32: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/ianalyze.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -5446,49 +5314,51 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +[ 48%] Building csg_fmatch manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_fmatch --format groff --out csg_fmatch.man +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -5529,7 +5399,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 294 | parent = loc.createGroup(name); @@ -5543,60 +5412,36 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc: In constructor 'votca::xtp::CheckpointFile::CheckpointFile(std::string, votca::xtp::CheckpointAccessLevel)': -/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:74:59: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] - 74 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_RDONLY); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:47: -/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' - 104 | H5File(const H5File &original); - | ^~~~~~ -/usr/include/hdf5/serial/H5File.h: In member function 'H5::H5File& H5::H5File::operator=(const H5::H5File&)': -/usr/include/hdf5/serial/H5File.h:24:17: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 24 | class H5_DLLCPP H5File : public Group { - | ^~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc: In constructor 'votca::xtp::CheckpointFile::CheckpointFile(std::string, votca::xtp::CheckpointAccessLevel)': -/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:74:59: note: synthesized method 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' first required here - 74 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_RDONLY); - | ^ -/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:77:67: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] - 77 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_TRUNC, fcpList); - | ^ -/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' - 104 | H5File(const H5File &original); - | ^~~~~~ -/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:81:69: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] - 81 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_TRUNC, fcpList); - | ^ -/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' - 104 | H5File(const H5File &original); - | ^~~~~~ -/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:83:68: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] - 83 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_RDWR, fcpList); - | ^ -/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' - 104 | H5File(const H5File &original); - | ^~~~~~ -[ 53%] Built target csg_stat -[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/filterfactory.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Built target csg_fmatch_manpage +make -f csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Building csg_gmxtopol manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_gmxtopol --format groff --out csg_gmxtopol.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Built target csg_gmxtopol_manpage +make -f csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Building csg_dlptopol manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dlptopol --format groff --out csg_dlptopol.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Built target csg_dlptopol_manpage +make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_density_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Building csg_density manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_density --format groff --out csg_density.man /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5611,6 +5456,29 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Built target csg_density_manpage +make -f csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 48%] Building csg_imc_solve manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_imc_solve --format groff --out csg_imc_solve.man +[ 49%] Linking CXX executable unit_test_boundarycondition +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_boundarycondition.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o -o unit_test_boundarycondition -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Built target csg_imc_solve_manpage +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Building CXX object csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/main.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/main.cc.o -MF CMakeFiles/csg_boltzmann.dir/main.cc.o.d -o CMakeFiles/csg_boltzmann.dir/main.cc.o -c /build/reproducible-path/votca-2024/csg/src/csg_boltzmann/main.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -5663,128 +5531,33 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/neighborlist.h:30, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/neighborlist.cc:23: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Built target unit_test_boundarycondition +make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Building csg_fluctuations manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name fluctuations/csg_fluctuations --format groff --out fluctuations.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Built target fluctuations_manpage +make -f csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Building csg_orientcorr manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name orientcorr/csg_orientcorr --format groff --out orientcorr.man In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmcmultiple.cc:29: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/jobcalculatorfactory.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/bsecoupling.cc:28: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmclifetime.cc:32: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -5794,38 +5567,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/qmpackagefactory.cc -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5835,18 +5576,12 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 180 | attr = loc.openAttribute(name); | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -5873,10 +5608,18 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Built target orientcorr_manpage +make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 49%] Building csg_part_dist manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name part_dist/csg_part_dist --format groff --out part_dist.man +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -5890,15 +5633,36 @@ 31 | Attribute(const Attribute &original); | ^~~~~~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 53%] Built target votca_csg_boltzmann -make -f csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_stat_manpage.dir/depend +[ 49%] Built target part_dist_manpage +make -f csg/src/csgapps/CMakeFiles/radii_manpage.dir/build.make csg/src/csgapps/CMakeFiles/radii_manpage.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_stat_manpage.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/radii_manpage.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build +make -f csg/src/csgapps/CMakeFiles/radii_manpage.dir/build.make csg/src/csgapps/CMakeFiles/radii_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 50%] Building csg_radii manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name radii/csg_radii --format groff --out radii.man +[ 50%] Linking CXX executable unit_test_lammpsdatareader +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_lammpsdatareader.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o -o unit_test_lammpsdatareader -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 50%] Built target radii_manpage +make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 50%] Building csg_sphericalorder manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name sphericalorder/csg_sphericalorder --format groff --out sphericalorder.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 50%] Built target sphericalorder_manpage +make -f csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build.make csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build.make csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 54%] Building csg_stat manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_stat --format groff --out csg_stat.man /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -5913,13 +5677,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/quadrature_factory.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 54%] Built target csg_stat_manpage -make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/DependInfo.cmake "--color=" +[ 50%] Building csg_traj_force manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name traj_force/csg_traj_force --format groff --out traj_force.man /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -5957,25 +5716,15 @@ 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build +[ 50%] Built target traj_force_manpage +make -f csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build.make csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/vaverage.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build.make csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 50%] Building CXX object csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o -MF CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o.d -o CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_bondedstatistics.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' @@ -5992,8 +5741,80 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 54%] Building CXX object csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/main.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/main.cc.o -MF CMakeFiles/csg_boltzmann.dir/main.cc.o.d -o CMakeFiles/csg_boltzmann.dir/main.cc.o -c /build/reproducible-path/votca-2024/csg/src/csg_boltzmann/main.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 50%] Built target unit_test_lammpsdatareader +[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/kmcmultiple.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmcmultiple.cc +[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o -MF CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o.d -o CMakeFiles/votca_xtp.dir/calculators/neighborlist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/neighborlist.cc +[ 50%] Linking CXX executable partial_rdf/csg_partial_rdf +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /usr/bin/cmake -E cmake_link_script CMakeFiles/partial_rdf.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/partial_rdf.dir/partial_rdf/partial_rdf.cc.o CMakeFiles/partial_rdf.dir/partial_rdf/rdf_calculator.cc.o -o partial_rdf/csg_partial_rdf -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 50%] Linking CXX executable unit_test_nblist_3body +cd 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 50%] Building csg_partial_rdf manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name partial_rdf/csg_partial_rdf --format groff --out partial_rdf.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 50%] Linking CXX executable unit_test_lammpsdumpreaderwriter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/link.txt --verbose=1 +[ 50%] Built target partial_rdf_manpage +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o -o unit_test_lammpsdumpreaderwriter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/calculators/vaverage.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ 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unit_test_interaction +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_interaction.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_interaction.dir/test_interaction.cc.o -o unit_test_interaction -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 50%] Built target unit_test_nblist_3body +[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/classicalsegment.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/classicalsegment.cc.o -MF CMakeFiles/votca_xtp.dir/classicalsegment.cc.o.d -o CMakeFiles/votca_xtp.dir/classicalsegment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/classicalsegment.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 50%] Built target unit_test_lammpsdumpreaderwriter +[ 50%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/couplingbase.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/couplingbase.cc.o -MF CMakeFiles/votca_xtp.dir/couplingbase.cc.o.d -o CMakeFiles/votca_xtp.dir/couplingbase.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/couplingbase.cc +[ 50%] Linking CXX executable unit_test_nblistgrid_3body +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_nblistgrid_3body.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o -o unit_test_nblistgrid_3body -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 50%] Built target unit_test_interaction +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o -MF CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o.d -o CMakeFiles/votca_xtp.dir/cubefile_writer.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/cubefile_writer.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 51%] Built target unit_test_nblistgrid_3body +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o -MF CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o.d -o CMakeFiles/votca_xtp.dir/davidsonsolver.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/davidsonsolver.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/kmcmultiple.cc:29: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -6035,8 +5856,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/sigmafactory.cc +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftcoupling.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftcoupling.cc.o -MF CMakeFiles/votca_xtp.dir/dftcoupling.cc.o.d -o CMakeFiles/votca_xtp.dir/dftcoupling.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftcoupling.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -6051,12 +5872,11 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/toolfactory.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/toolfactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/toolfactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/toolfactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/toolfactory.cc +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/ERIs.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/ERIs.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/classicalsegment.cc:29: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:32: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -6102,8 +5922,10 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -6116,10 +5938,79 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/neighborlist.h:30, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/neighborlist.cc:23: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/classicalsegment.cc:29: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -6132,6 +6023,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 51%] Linking CXX executable unit_test_pdbreader +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_pdbreader.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_pdbreader.dir/test_pdbreader.cc.o -o unit_test_pdbreader -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -6173,56 +6067,86 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/ecpaobasis.cc:24: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:30: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc: In constructor 'votca::xtp::CheckpointFile::CheckpointFile(std::string, votca::xtp::CheckpointAccessLevel)': +/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:74:59: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] + 74 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_RDONLY); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:47: +/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' + 104 | H5File(const H5File &original); + | ^~~~~~ +/usr/include/hdf5/serial/H5File.h: In member function 'H5::H5File& H5::H5File::operator=(const H5::H5File&)': +/usr/include/hdf5/serial/H5File.h:24:17: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 24 | class H5_DLLCPP H5File : public Group { + | ^~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc: In constructor 'votca::xtp::CheckpointFile::CheckpointFile(std::string, votca::xtp::CheckpointAccessLevel)': +/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:74:59: note: synthesized method 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' first required here + 74 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_RDONLY); + | ^ +/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:77:67: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] + 77 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_TRUNC, fcpList); + | ^ +/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' + 104 | H5File(const H5File &original); + | ^~~~~~ +/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:81:69: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] + 81 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_TRUNC, fcpList); + | ^ +/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' + 104 | H5File(const H5File &original); + | ^~~~~~ +/build/reproducible-path/votca-2024/xtp/src/libxtp/checkpoint.cc:83:68: warning: implicitly-declared 'H5::H5File& H5::H5File::operator=(const H5::H5File&)' is deprecated [-Wdeprecated-copy] + 83 | fileHandle_ = H5::H5File(fileName_, H5F_ACC_RDWR, fcpList); + | ^ +/usr/include/hdf5/serial/H5File.h:104:5: note: because 'H5::H5File' has user-provided 'H5::H5File::H5File(const H5::H5File&)' + 104 | H5File(const H5File &original); + | ^~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -6235,6 +6159,15 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/adiis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/adiis.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 51%] Built target unit_test_pdbreader +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/convergenceacc.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/convergenceacc.cc +[ 51%] Linking CXX executable template_serial +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template && /usr/bin/cmake -E cmake_link_script CMakeFiles/template_serial.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/template_serial.dir/template_serial.cc.o -o template_serial -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../../src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -6287,6 +6220,10 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 51%] Built target template_serial +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/dftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/dftengine.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -6301,9 +6238,38 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/ecpaobasis.cc:25: +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/cubefile_writer.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/cubefile_writer.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/vaverage.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 178 | attr = loc.createAttribute(name, *strType, dp); @@ -6344,34 +6310,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/couplingbase.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -6413,8 +6351,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/fcddiabatization.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/fcddiabatization.cc.o -MF CMakeFiles/votca_xtp.dir/fcddiabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/fcddiabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/fcddiabatization.cc +[ 51%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/diis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/diis.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -6429,49 +6367,11 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PotentialIO; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/src/libxtp/ecpaobasis.cc:152:44: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_hermite_quadrature.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_hermite_quadrature.cc.o -MF CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_hermite_quadrature.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_hermite_quadrature.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussian_quadrature/gauss_hermite_quadrature.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftcoupling.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/dftcoupling.cc:28: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/couplingbase.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -6481,6 +6381,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o -MF CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o.d -o CMakeFiles/votca_xtp.dir/dftengine/embeddingengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/embeddingengine.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -6522,29 +6424,12 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o -MF CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussian_quadrature/gauss_laguerre_quadrature.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/cubefile_writer.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/cubefile_writer.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftcoupling.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/dftcoupling.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -6554,20 +6439,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -6609,8 +6480,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -6647,7 +6518,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -6675,134 +6546,84 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/eeinteractor.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/activedensitymatrix.h:24, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/dftengine.cc:32: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +[ 53%] Linking CXX executable unit_test_triplelist +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_triplelist.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o -o unit_test_triplelist -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +[ 53%] Linking CXX executable template_threaded +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template && /usr/bin/cmake -E cmake_link_script CMakeFiles/template_threaded.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/template_threaded.dir/template_threaded.cc.o -o template_threaded -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../../src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/esp2multipole.h:34, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/esp2multipole.cc:25: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 53%] Built target unit_test_triplelist +[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o -MF CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o.d -o CMakeFiles/votca_xtp.dir/ecpaobasis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/ecpaobasis.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -6815,6 +6636,10 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 53%] Built target template_threaded +[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o -MF CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o.d -o CMakeFiles/votca_xtp.dir/ecpbasisset.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/ecpbasisset.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -6851,21 +6676,58 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' @@ -6882,6 +6744,52 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 53%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/eeinteractor.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/eeinteractor.cc.o -MF CMakeFiles/votca_xtp.dir/eeinteractor.cc.o.d -o CMakeFiles/votca_xtp.dir/eeinteractor.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/eeinteractor.cc +[ 54%] Linking CXX executable csg_boltzmann +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_boltzmann.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_boltzmann.dir/main.cc.o CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -o csg_boltzmann -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 54%] Built target csg_boltzmann +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 54%] Building csg_boltzmann manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/csg_boltzmann --format groff --out csg_boltzmann.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 54%] Built target csg_boltzmann_manpage +[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/erdiabatization.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/erdiabatization.cc.o -MF CMakeFiles/votca_xtp.dir/erdiabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/erdiabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/erdiabatization.cc +In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/ecpaobasis.cc:24: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:30: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/ecpaobasis.cc:25: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -6908,11 +6816,74 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 54%] Linking CXX executable unit_test_tabulatedpotential +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_tabulatedpotential.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -o unit_test_tabulatedpotential -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 54%] Built target unit_test_tabulatedpotential +[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/esp2multipole.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/esp2multipole.cc.o -MF CMakeFiles/votca_xtp.dir/esp2multipole.cc.o.d -o CMakeFiles/votca_xtp.dir/esp2multipole.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/esp2multipole.cc +[ 54%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/espfit.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/espfit.cc.o -MF CMakeFiles/votca_xtp.dir/espfit.cc.o.d -o CMakeFiles/votca_xtp.dir/espfit.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/espfit.cc +[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/calculatorfactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/calculatorfactory.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PotentialIO; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/src/libxtp/ecpaobasis.cc:152:44: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +[ 55%] Linking CXX executable unit_test_bondedstatistics +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bondedstatistics.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -o unit_test_bondedstatistics -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/erdiabatization.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/erdiabatization.cc:19: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/activedensitymatrix.h:24, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/dftengine/dftengine.cc:32: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -6963,6 +6934,22 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, @@ -6977,24 +6964,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/eanalyze.h:36, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/calculatorfactory.cc:24: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -7036,6 +7005,27 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 55%] Built target unit_test_bondedstatistics +[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/filterfactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/filterfactory.cc +[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/jobcalculatorfactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/jobcalculatorfactory.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/eeinteractor.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -7077,16 +7067,40 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make -f csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build.make csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build.make csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o -MF CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussian_quadrature/gauss_legendre_quadrature.cc -[ 55%] Building CXX object csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o -MF CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o.d -o CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_bondedstatistics.cc +[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/qmpackagefactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/qmpackagefactory.cc +[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/quadrature_factory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/quadrature_factory.cc +[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/sigmafactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/sigmafactory.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -7103,14 +7117,9 @@ | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobcalculator.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobcalculatorfactory.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/jobcalculatorfactory.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/erdiabatization.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/erdiabatization.cc:19: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -7120,9 +7129,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make -f csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build.make csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/DependInfo.cmake "--color=" In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -7138,9 +7144,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build.make csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -7167,71 +7170,29 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 55%] Building CXX object csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DCSG_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/csg/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o -MF CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o.d -o CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o -c /build/reproducible-path/votca-2024/csg/src/tests/test_tabulatedpotential.cc -[ 55%] Linking CXX executable csg_reupdate -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_reupdate.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_reupdate.dir/csg_reupdate.cc.o -o csg_reupdate -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/toolfactory.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/factories/toolfactory.cc.o -MF CMakeFiles/votca_xtp.dir/factories/toolfactory.cc.o.d -o CMakeFiles/votca_xtp.dir/factories/toolfactory.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/toolfactory.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/esp2multipole.h:34, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/esp2multipole.cc:25: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o -MF CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussianwriter.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/filterfactory.cc:22: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/espfit.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/espfit.cc:26: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -7285,9 +7246,12 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/espfit.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/espfit.cc:26: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/calculators/eanalyze.h:36, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/calculatorfactory.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -7297,20 +7261,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -7352,50 +7302,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackage.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackagefactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/qmpackagefactory.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -7437,10 +7343,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 55%] Built target csg_reupdate -[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o -MF CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gmhdiabatization.cc +[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/fcddiabatization.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/fcddiabatization.cc.o -MF CMakeFiles/votca_xtp.dir/fcddiabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/fcddiabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/fcddiabatization.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -7455,10 +7359,46 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gnode.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gnode.cc.o -MF CMakeFiles/votca_xtp.dir/gnode.cc.o.d -o CMakeFiles/votca_xtp.dir/gnode.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gnode.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -7471,11 +7411,10 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/grid.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/grid.cc.o -MF CMakeFiles/votca_xtp.dir/grids/grid.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/grid.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_hermite_quadrature.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_hermite_quadrature.cc.o -MF CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_hermite_quadrature.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_hermite_quadrature.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussian_quadrature/gauss_hermite_quadrature.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -7488,9 +7427,46 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -7503,16 +7479,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make -f csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 55%] Building csg_reupdate manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_reupdate --format groff --out csg_reupdate.man -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -7539,10 +7508,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 55%] Built target csg_reupdate_manpage -[ 55%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o -MF CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/gridbox.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -7557,15 +7522,16 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o -MF CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/radial_euler_maclaurin_rule.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftcoupling.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/coupling.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/toolfactory.cc:25: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobcalculator.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobcalculatorfactory.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/jobcalculatorfactory.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -7575,22 +7541,62 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o -MF CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/regular_grid.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/filterfactory.cc:22: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -7632,8 +7638,23 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -7670,7 +7691,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -7684,40 +7705,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/sphere_lebedev_rule.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/sphere_lebedev_rule.cc.o -MF CMakeFiles/votca_xtp.dir/grids/sphere_lebedev_rule.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/sphere_lebedev_rule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/sphere_lebedev_rule.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -7754,7 +7743,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -7768,6 +7757,94 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o -MF CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_laguerre_quadrature.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussian_quadrature/gauss_laguerre_quadrature.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackage.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackagefactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/qmpackagefactory.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -7820,12 +7897,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/vxc_grid.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/vxc_grid.cc.o -MF CMakeFiles/votca_xtp.dir/grids/vxc_grid.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/vxc_grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/vxc_grid.cc -[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/bse.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -7862,7 +7935,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -7876,8 +7949,37 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -7914,7 +8016,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -7928,15 +8030,13 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/bse_operator.cc -[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gw.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/fcddiabatization.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/fcddiabatization.cc:19: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftcoupling.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/coupling.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/factories/toolfactory.cc:25: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -7987,8 +8087,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbse.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -8055,70 +8153,14 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbseengine.cc -[ 58%] Linking CXX executable csg_imc_solve -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_imc_solve.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_imc_solve.dir/csg_imc_solve.cc.o -o csg_imc_solve -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 58%] Built target csg_imc_solve -[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/ppm.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -make -f csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o -MF CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussian_quadrature/gauss_legendre_quadrature.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussian_quadrature/gauss_legendre_quadrature.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ -make -f csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ @@ -8146,13 +8188,12 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here 42 | class CptTable { | ^~~~~~~~ -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -8166,17 +8207,25 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 58%] Building csg_imc_solve manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_imc_solve --format groff --out csg_imc_solve.man -[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/rpa.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gnode.cc:22: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/fcddiabatization.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/fcddiabatization.cc:19: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -8227,10 +8276,23 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 58%] Built target csg_imc_solve_manpage -[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/sigma_base.cc +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o -MF CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o.d -o CMakeFiles/votca_xtp.dir/gaussianwriter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussianwriter.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -8245,9 +8307,29 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gyration.cc.o -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o -MF CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/gmhdiabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gmhdiabatization.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gnode.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gnode.cc.o -MF CMakeFiles/votca_xtp.dir/gnode.cc.o.d -o CMakeFiles/votca_xtp.dir/gnode.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gnode.cc +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/grid.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/grid.cc.o -MF CMakeFiles/votca_xtp.dir/grids/grid.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/grid.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -8262,7 +8344,6 @@ /usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' 39 | CompType(const CompType &original); | ^~~~~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gyration.cc.o -MF CMakeFiles/votca_xtp.dir/gyration.cc.o.d -o CMakeFiles/votca_xtp.dir/gyration.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gyration.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -8285,7 +8366,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -8299,68 +8380,10 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/grid.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/grid.cc:28: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/job.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/job.cc.o -MF CMakeFiles/votca_xtp.dir/job.cc.o.d -o CMakeFiles/votca_xtp.dir/job.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/job.cc -[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/eqm.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o -MF CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/gridbox.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/gridbox.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -8397,7 +8420,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -8411,43 +8434,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/iexcitoncl.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 59%] Linking CXX executable csg_boltzmann -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_boltzmann.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_boltzmann.dir/main.cc.o CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -o csg_boltzmann -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gaussianwriter.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussianwriter.cc:20: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/iqm.cc -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/qmmm.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -8500,8 +8486,12 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +[ 57%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o -MF CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/regular_grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/regular_grid.cc +[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o -MF CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/radial_euler_maclaurin_rule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/radial_euler_maclaurin_rule.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -8538,7 +8528,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -8552,67 +8542,13 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobtopology.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobtopology.cc.o -MF CMakeFiles/votca_xtp.dir/jobtopology.cc.o.d -o CMakeFiles/votca_xtp.dir/jobtopology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobtopology.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 61%] Linking CXX executable csg_fmatch -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/csg_fmatch.dir/link.txt --verbose=1 -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/csg_fmatch.dir/csg_fmatch.cc.o -o csg_fmatch -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools: ../libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 61%] Built target csg_boltzmann -make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/depend -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/kmccalculator.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/kmccalculator.cc.o -MF CMakeFiles/votca_xtp.dir/kmccalculator.cc.o.d -o CMakeFiles/votca_xtp.dir/kmccalculator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/kmccalculator.cc -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gmhdiabatization.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gmhdiabatization.cc:19: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gnode.cc:22: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -8622,8 +8558,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 61%] Building csg_boltzmann manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/csg_boltzmann --format groff --out csg_boltzmann.man In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -8665,8 +8599,24 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/sphere_lebedev_rule.cc.o +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/sphere_lebedev_rule.cc.o -MF CMakeFiles/votca_xtp.dir/grids/sphere_lebedev_rule.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/sphere_lebedev_rule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/sphere_lebedev_rule.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -8703,7 +8653,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -8717,16 +8667,15 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 61%] Built target csg_boltzmann_manpage -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/libint2_calls.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/libint2_calls.cc.o -MF CMakeFiles/votca_xtp.dir/libint2_calls.cc.o.d -o CMakeFiles/votca_xtp.dir/libint2_calls.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/libint2_calls.cc +[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/vxc_grid.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/grids/vxc_grid.cc.o -MF CMakeFiles/votca_xtp.dir/grids/vxc_grid.cc.o.d -o CMakeFiles/votca_xtp.dir/grids/vxc_grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/vxc_grid.cc +[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/bse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/bse.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/sphere_lebedev_rule.h:32, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/sphere_lebedev_rule.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gmhdiabatization.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gmhdiabatization.cc:19: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -8777,29 +8726,14 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 61%] Built target csg_fmatch -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o -MF CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o.d -o CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/matrixfreeoperator.cc +[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/bse_operator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/bse_operator.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/radial_euler_maclaurin_rule.cc:26: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/grid.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/grid.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -8824,6 +8758,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/gw.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gw.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -8852,9 +8788,9 @@ | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/regular_grid.cc:22: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gaussianwriter.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gaussianwriter.cc:20: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -8905,8 +8841,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/md2qmengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/md2qmengine.cc.o -MF CMakeFiles/votca_xtp.dir/md2qmengine.cc.o.d -o CMakeFiles/votca_xtp.dir/md2qmengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/md2qmengine.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -8935,168 +8869,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/vxc_grid.cc:23: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/bse.cc:28: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -9215,6 +8987,10 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 58%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/gwbse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbse.cc +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/gwbseengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbseengine.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -9267,13 +9043,11 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/mmregion.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/mmregion.cc.o -MF CMakeFiles/votca_xtp.dir/mmregion.cc.o.d -o CMakeFiles/votca_xtp.dir/mmregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gw.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gw.cc:27: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/radial_euler_maclaurin_rule.cc:26: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -9338,65 +9112,30 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/molden.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/molden.cc.o -MF CMakeFiles/votca_xtp.dir/molden.cc.o.d -o CMakeFiles/votca_xtp.dir/molden.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/molden.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/ppm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/ppm.cc +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/rpa.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/rpa.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/sphere_lebedev_rule.h:32, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/sphere_lebedev_rule.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbse.cc:32: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/regular_grid.cc:22: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -9406,9 +9145,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make -f csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/DependInfo.cmake "--color=" In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -9450,9 +9186,47 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -9505,8 +9279,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 62%] Building csg_fmatch manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_fmatch --format groff --out csg_fmatch.man /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -9521,13 +9293,11 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gwbse.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbseengine.cc:25: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/bse.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -9537,21 +9307,61 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gw.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gw.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 62%] Built target csg_fmatch_manpage +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -9567,8 +9377,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/nbo.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/nbo.cc.o -MF CMakeFiles/votca_xtp.dir/nbo.cc.o.d -o CMakeFiles/votca_xtp.dir/nbo.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/nbo.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -9595,14 +9403,11 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o -MF CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o.d -o CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/amplitude_integration.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/iexcitoncl.cc:28: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/grids/vxc_grid.cc:23: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -9612,37 +9417,47 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o -MF CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o.d -o CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/density_integration.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -9695,67 +9510,40 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o -MF CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o.d -o CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/vxc_potential.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o -MF CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o.d -o CMakeFiles/votca_xtp.dir/gwbse/sigma_base.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/sigma_base.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/esp2multipole.h:34, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/eqm.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gyration.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/gyration.cc.o -MF CMakeFiles/votca_xtp.dir/gyration.cc.o.d -o CMakeFiles/votca_xtp.dir/gyration.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/gyration.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -9782,6 +9570,27 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/job.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/job.cc.o -MF CMakeFiles/votca_xtp.dir/job.cc.o.d -o CMakeFiles/votca_xtp.dir/job.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/job.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/eqm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/eqm.cc +[ 59%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/iexcitoncl.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/iexcitoncl.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -9834,23 +9643,12 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobtopology.cc:29: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gwbse.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbseengine.cc:25: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -9901,6 +9699,20 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gwbse/gwbse.cc:32: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -9953,81 +9765,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 62%] Linking CXX executable unit_test_bondedstatistics -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bondedstatistics.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -o unit_test_bondedstatistics -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o -MF CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o.d -o CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/openmp_cuda.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gyration.h:30, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/gyration.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -10069,73 +9806,23 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbitals.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbitals.cc.o -MF CMakeFiles/votca_xtp.dir/orbitals.cc.o.d -o CMakeFiles/votca_xtp.dir/orbitals.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc -[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbreorder.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbreorder.cc.o -MF CMakeFiles/votca_xtp.dir/orbreorder.cc.o.d -o CMakeFiles/votca_xtp.dir/orbreorder.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/orbreorder.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 62%] Built target unit_test_bondedstatistics -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/kmccalculator.cc:28: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o -MF CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o.d -o CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/parallelxjobcalc.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -10148,20 +9835,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/region.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobtopology.h:27, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/qmmm.cc:34: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -10176,10 +9849,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/pmlocalization.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/pmlocalization.cc.o -MF CMakeFiles/votca_xtp.dir/pmlocalization.cc.o.d -o CMakeFiles/votca_xtp.dir/pmlocalization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/pmlocalization.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -10192,6 +9864,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/iqm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/iqm.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -10244,8 +9918,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -10280,6 +9954,37 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/iexcitoncl.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -10321,46 +10026,12 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/mmregion.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarregion.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarregion.cc.o -MF CMakeFiles/votca_xtp.dir/polarregion.cc.o.d -o CMakeFiles/votca_xtp.dir/polarregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/polarregion.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackage.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackagefactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/iqm.cc:33: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/esp2multipole.h:34, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/eqm.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -10463,58 +10134,27 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarsite.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarsite.cc.o -MF CMakeFiles/votca_xtp.dir/polarsite.cc.o.d -o CMakeFiles/votca_xtp.dir/polarsite.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/polarsite.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o -MF CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o.d -o CMakeFiles/votca_xtp.dir/jobcalculators/qmmm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/qmmm.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/md2qmengine.h:27, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/md2qmengine.cc:19: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gyration.h:30, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/gyration.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -10565,24 +10205,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/populationanalysis.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/populationanalysis.cc.o -MF CMakeFiles/votca_xtp.dir/populationanalysis.cc.o.d -o CMakeFiles/votca_xtp.dir/populationanalysis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/populationanalysis.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/progressobserver.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/progressobserver.cc.o -MF CMakeFiles/votca_xtp.dir/progressobserver.cc.o.d -o CMakeFiles/votca_xtp.dir/progressobserver.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/progressobserver.cc +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobtopology.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/jobtopology.cc.o -MF CMakeFiles/votca_xtp.dir/jobtopology.cc.o.d -o CMakeFiles/votca_xtp.dir/jobtopology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/jobtopology.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -10597,6 +10221,10 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/kmccalculator.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/kmccalculator.cc.o -MF CMakeFiles/votca_xtp.dir/kmccalculator.cc.o.d -o CMakeFiles/votca_xtp.dir/kmccalculator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/kmccalculator.cc +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/libint2_calls.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/libint2_calls.cc.o -MF CMakeFiles/votca_xtp.dir/libint2_calls.cc.o.d -o CMakeFiles/votca_xtp.dir/libint2_calls.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/libint2_calls.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -10649,6 +10277,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o -MF CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o.d -o CMakeFiles/votca_xtp.dir/matrixfreeoperator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/matrixfreeoperator.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -10663,8 +10293,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmatom.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmatom.cc.o -MF CMakeFiles/votca_xtp.dir/qmatom.cc.o.d -o CMakeFiles/votca_xtp.dir/qmatom.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmatom.cc +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/md2qmengine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/md2qmengine.cc.o -MF CMakeFiles/votca_xtp.dir/md2qmengine.cc.o.d -o CMakeFiles/votca_xtp.dir/md2qmengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/md2qmengine.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here @@ -10732,63 +10362,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/jobtopology.cc:351:4: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -10841,30 +10414,68 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmcalculator.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmcalculator.cc.o -MF CMakeFiles/votca_xtp.dir/qmcalculator.cc.o.d -o CMakeFiles/votca_xtp.dir/qmcalculator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmcalculator.cc -[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmmolecule.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmmolecule.cc.o -MF CMakeFiles/votca_xtp.dir/qmmolecule.cc.o.d -o CMakeFiles/votca_xtp.dir/qmmolecule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmmolecule.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +[ 61%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/mmregion.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/mmregion.cc.o -MF CMakeFiles/votca_xtp.dir/mmregion.cc.o.d -o CMakeFiles/votca_xtp.dir/mmregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackage.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackagefactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/iqm.cc:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/molden.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/molden.cc:4: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobtopology.cc:29: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -10889,10 +10500,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:54:19: required from 'void votca::xtp::MMRegion::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::ClassicalSegment]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:78:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -10952,46 +10562,95 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/kmccalculator.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/region.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobtopology.h:27, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/jobcalculators/qmmm.cc:34: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -11004,11 +10663,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:54:19: required from 'void votca::xtp::MMRegion::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::ClassicalSegment]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:78:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -11021,8 +10677,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -11059,7 +10715,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -11073,34 +10729,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/amplitude_integration.cc:22: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/density_integration.cc:22: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -11142,11 +10770,50 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/molden.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/molden.cc.o -MF CMakeFiles/votca_xtp.dir/molden.cc.o.d -o CMakeFiles/votca_xtp.dir/molden.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/molden.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/nbo.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/nbo.cc.o -MF CMakeFiles/votca_xtp.dir/nbo.cc.o.d -o CMakeFiles/votca_xtp.dir/nbo.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/nbo.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/md2qmengine.h:27, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/md2qmengine.cc:19: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 178 | attr = loc.createAttribute(name, *strType, dp); | ^ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o -MF CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o.d -o CMakeFiles/votca_xtp.dir/numerical_integration/amplitude_integration.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/amplitude_integration.cc In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); @@ -11183,8 +10850,50 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -11219,8 +10928,10 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -11233,13 +10944,65 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmnblist.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmnblist.cc.o -MF CMakeFiles/votca_xtp.dir/qmnblist.cc.o.d -o CMakeFiles/votca_xtp.dir/qmnblist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmnblist.cc -[ 64%] Linking CXX executable unit_test_tabulatedpotential -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_tabulatedpotential.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/bondedstatistics.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/stdanalysis.cc.o ../csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/tabulatedpotential.cc.o -o unit_test_tabulatedpotential -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools ../libcsg/libvotca_csg.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libpthread.a -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/mmregion.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/jobtopology.cc:351:4: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -11252,6 +11015,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o -MF CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o.d -o CMakeFiles/votca_xtp.dir/numerical_integration/density_integration.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/density_integration.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -11370,14 +11135,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 64%] Built target unit_test_tabulatedpotential -[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackage.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackage.cc.o -MF CMakeFiles/votca_xtp.dir/qmpackage.cc.o.d -o CMakeFiles/votca_xtp.dir/qmpackage.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackage.cc -[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o -MF CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o.d -o CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/orca.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -11412,10 +11171,48 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:54:19: required from 'void votca::xtp::MMRegion::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::ClassicalSegment]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:78:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:54:19: required from 'void votca::xtp::MMRegion::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::ClassicalSegment]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/mmregion.cc:78:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -11428,11 +11225,13 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o -MF CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o.d -o CMakeFiles/votca_xtp.dir/numerical_integration/vxc_potential.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/vxc_potential.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbreorder.h:28, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/orbreorder.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/molden.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/molden.cc:4: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -11442,8 +11241,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o -MF CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o.d -o CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/xtpdft.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -11485,10 +11282,25 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:29: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/amplitude_integration.cc:22: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -11498,16 +11310,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/polarsite.cc:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:30: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -11601,16 +11403,27 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o -MF CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o.d -o CMakeFiles/votca_xtp.dir/openmp_cuda.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/openmp_cuda.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobcalculator.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/parallelxjobcalc.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/parallelxjobcalc.cc:28: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/numerical_integration/density_integration.cc:22: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -11661,13 +11474,46 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpair.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpair.cc.o -MF CMakeFiles/votca_xtp.dir/qmpair.cc.o.d -o CMakeFiles/votca_xtp.dir/qmpair.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpair.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbitals.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbitals.cc.o -MF CMakeFiles/votca_xtp.dir/orbitals.cc.o.d -o CMakeFiles/votca_xtp.dir/orbitals.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc +[ 62%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbreorder.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/orbreorder.cc.o -MF CMakeFiles/votca_xtp.dir/orbreorder.cc.o.d -o CMakeFiles/votca_xtp.dir/orbreorder.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/orbreorder.cc +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o -MF CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o.d -o CMakeFiles/votca_xtp.dir/parallelxjobcalc.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/parallelxjobcalc.cc +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/pmlocalization.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/pmlocalization.cc.o -MF CMakeFiles/votca_xtp.dir/pmlocalization.cc.o.d -o CMakeFiles/votca_xtp.dir/pmlocalization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/pmlocalization.cc +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarregion.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarregion.cc.o -MF CMakeFiles/votca_xtp.dir/polarregion.cc.o.d -o CMakeFiles/votca_xtp.dir/polarregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/polarregion.cc +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarsite.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/polarsite.cc.o -MF CMakeFiles/votca_xtp.dir/polarsite.cc.o.d -o CMakeFiles/votca_xtp.dir/polarsite.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/polarsite.cc +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/populationanalysis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/populationanalysis.cc.o -MF CMakeFiles/votca_xtp.dir/populationanalysis.cc.o.d -o CMakeFiles/votca_xtp.dir/populationanalysis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/populationanalysis.cc +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/progressobserver.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/progressobserver.cc.o -MF CMakeFiles/votca_xtp.dir/progressobserver.cc.o.d -o CMakeFiles/votca_xtp.dir/progressobserver.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/progressobserver.cc +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmatom.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmatom.cc.o -MF CMakeFiles/votca_xtp.dir/qmatom.cc.o.d -o CMakeFiles/votca_xtp.dir/qmatom.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmatom.cc +[ 63%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmcalculator.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmcalculator.cc.o -MF CMakeFiles/votca_xtp.dir/qmcalculator.cc.o.d -o CMakeFiles/votca_xtp.dir/qmcalculator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmcalculator.cc +[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmmolecule.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmmolecule.cc.o -MF CMakeFiles/votca_xtp.dir/qmmolecule.cc.o.d -o CMakeFiles/votca_xtp.dir/qmmolecule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmmolecule.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/pmlocalization.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/pmlocalization.cc:23: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:29: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -11718,20 +11564,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, @@ -11748,30 +11580,63 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmatom.cc:22: +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbreorder.h:28, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/orbreorder.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; | ^~~ In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:30: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmnblist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmnblist.cc.o -MF CMakeFiles/votca_xtp.dir/qmnblist.cc.o.d -o CMakeFiles/votca_xtp.dir/qmnblist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmnblist.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -11813,11 +11678,48 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmregion.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmregion.cc.o -MF CMakeFiles/votca_xtp.dir/qmregion.cc.o.d -o CMakeFiles/votca_xtp.dir/qmregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmregion.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/polarsite.cc:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:30: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:635:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:654:20: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -11851,10 +11753,9 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:656:4: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -11881,9 +11782,80 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:635:4: required from here +In file included from /usr/include/libint2/engine.impl.h:34, + from /usr/include/libint2/engine.h:1020, + from /usr/include/libint2/cxxapi.h:45, + from /usr/include/libint2.hpp:24, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/libint2_calls.cc:30: +/usr/include/libint2/boys.h: In constructor 'libint2::TennoGmEval::TennoGmEval(unsigned int, Real)': +/usr/include/libint2/boys.h:875: note: '-Wmisleading-indentation' is disabled from this point onwards, since column-tracking was disabled due to the size of the code/headers + 875 | if (mmax > cheb_table_mmax) + | +/usr/include/libint2/boys.h:875: note: adding '-flarge-source-files' will allow for more column-tracking support, at the expense of compilation time and memory +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobcalculator.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/parallelxjobcalc.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/parallelxjobcalc.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackage.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackage.cc.o -MF CMakeFiles/votca_xtp.dir/qmpackage.cc.o.d -o CMakeFiles/votca_xtp.dir/qmpackage.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackage.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -11896,9 +11868,19 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmatom.cc:22: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:30: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:654:20: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -11932,9 +11914,10 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/orbitals.cc:656:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -11947,10 +11930,22 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmstate.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmstate.cc.o -MF CMakeFiles/votca_xtp.dir/qmstate.cc.o.d -o CMakeFiles/votca_xtp.dir/qmstate.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmstate.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -11987,7 +11982,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -12004,8 +11999,8 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/populationanalysis.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/populationanalysis.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/pmlocalization.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/pmlocalization.cc:23: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -12015,17 +12010,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmmolecule.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:27: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -12068,22 +12052,17 @@ 62 | Group(const Group &original); | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmnblist.cc:21: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmmolecule.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; | ^~~ In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:27: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmmolecule.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 178 | attr = loc.createAttribute(name, *strType, dp); @@ -12124,7 +12103,41 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmmolecule.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o -MF CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o.d -o CMakeFiles/votca_xtp.dir/qmpackages/orca.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/orca.cc +[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o -MF CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o.d -o CMakeFiles/votca_xtp.dir/qmpackages/xtpdft.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/xtpdft.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmnblist.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 178 | attr = loc.createAttribute(name, *strType, dp); @@ -12214,22 +12227,46 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -12242,9 +12279,58 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackage.cc:26: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -12260,8 +12346,9 @@ | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackage.cc:26: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/populationanalysis.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/populationanalysis.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -12271,24 +12358,51 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmtool.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmtool.cc.o -MF CMakeFiles/votca_xtp.dir/qmtool.cc.o.d -o CMakeFiles/votca_xtp.dir/qmtool.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmtool.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -12301,8 +12415,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/rate_engine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/rate_engine.cc.o -MF CMakeFiles/votca_xtp.dir/rate_engine.cc.o.d -o CMakeFiles/votca_xtp.dir/rate_engine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/rate_engine.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -12344,8 +12456,75 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpair.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmpair.cc.o -MF CMakeFiles/votca_xtp.dir/qmpair.cc.o.d -o CMakeFiles/votca_xtp.dir/qmpair.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpair.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmregion.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmregion.cc.o -MF CMakeFiles/votca_xtp.dir/qmregion.cc.o.d -o CMakeFiles/votca_xtp.dir/qmregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmregion.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 64%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmstate.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmstate.cc.o -MF CMakeFiles/votca_xtp.dir/qmstate.cc.o.d -o CMakeFiles/votca_xtp.dir/qmstate.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmstate.cc +[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmtool.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/qmtool.cc.o -MF CMakeFiles/votca_xtp.dir/qmtool.cc.o.d -o CMakeFiles/votca_xtp.dir/qmtool.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/qmtool.cc +[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/rate_engine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/rate_engine.cc.o -MF CMakeFiles/votca_xtp.dir/rate_engine.cc.o.d -o CMakeFiles/votca_xtp.dir/rate_engine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/rate_engine.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -12382,7 +12561,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -12398,38 +12577,6 @@ | ^~~~~~~~~ [ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/region.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/region.cc.o -MF CMakeFiles/votca_xtp.dir/region.cc.o.d -o CMakeFiles/votca_xtp.dir/region.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/region.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segment.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segment.cc.o -MF CMakeFiles/votca_xtp.dir/segment.cc.o.d -o CMakeFiles/votca_xtp.dir/segment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc -[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segmentmapper.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segmentmapper.cc.o -MF CMakeFiles/votca_xtp.dir/segmentmapper.cc.o.d -o CMakeFiles/votca_xtp.dir/segmentmapper.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/segmentmapper.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/orca.cc:40: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, @@ -12486,8 +12633,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o -MF CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o.d -o CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_cda.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/hist.h:25, @@ -12502,6 +12647,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segment.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segment.cc.o -MF CMakeFiles/votca_xtp.dir/segment.cc.o.d -o CMakeFiles/votca_xtp.dir/segment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -12557,51 +12704,23 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o -MF CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o.d -o CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_exact.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ +[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segmentmapper.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/segmentmapper.cc.o -MF CMakeFiles/votca_xtp.dir/segmentmapper.cc.o.d -o CMakeFiles/votca_xtp.dir/segmentmapper.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/segmentmapper.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/orca.cc:40: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -12638,7 +12757,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -12652,8 +12771,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -12690,7 +12809,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -12704,58 +12823,105 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/xtpdft.h:28, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/xtpdft.cc:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o -MF CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o.d -o CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_cda.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_cda.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -12770,14 +12936,13 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o -MF CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o.d -o CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_ppm.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/xtpdft.h:28, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/qmpackages/xtpdft.cc:33: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/rate_engine.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/rate_engine.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -12828,18 +12993,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/stateapplication.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/stateapplication.cc.o -MF CMakeFiles/votca_xtp.dir/stateapplication.cc.o.d -o CMakeFiles/votca_xtp.dir/stateapplication.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/stateapplication.cc -In file included from /usr/include/libint2/engine.impl.h:34, - from /usr/include/libint2/engine.h:1020, - from /usr/include/libint2/cxxapi.h:45, - from /usr/include/libint2.hpp:24, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/libint2_calls.cc:30: -/usr/include/libint2/boys.h: In constructor 'libint2::TennoGmEval::TennoGmEval(unsigned int, Real)': -/usr/include/libint2/boys.h:875: note: '-Wmisleading-indentation' is disabled from this point onwards, since column-tracking was disabled due to the size of the code/headers - 875 | if (mmax > cheb_table_mmax) - | -/usr/include/libint2/boys.h:875: note: adding '-flarge-source-files' will allow for more column-tracking support, at the expense of compilation time and memory /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -12868,8 +13021,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilter_base.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilter_base.cc.o -MF CMakeFiles/votca_xtp.dir/statefilter_base.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilter_base.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilter_base.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -12922,8 +13073,66 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/DeltaQ_filter.cc +[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o -MF CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o.d -o CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_exact.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_exact.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 66%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o -MF CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o.d -o CMakeFiles/votca_xtp.dir/self_energy_evaluators/sigma_ppm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_ppm.cc +[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/stateapplication.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/stateapplication.cc.o -MF CMakeFiles/votca_xtp.dir/stateapplication.cc.o.d -o CMakeFiles/votca_xtp.dir/stateapplication.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/stateapplication.cc +[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilter_base.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilter_base.cc.o -MF CMakeFiles/votca_xtp.dir/statefilter_base.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilter_base.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilter_base.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, @@ -12940,48 +13149,17 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/rate_engine.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/rate_engine.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ @@ -13013,32 +13191,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 294 | parent = loc.createGroup(name); @@ -13052,22 +13204,9 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -13080,8 +13219,24 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/DeltaQ_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/DeltaQ_filter.cc [ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Density_filter.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Density_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/Density_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/Density_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Density_filter.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -13123,9 +13278,9 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc:43:34: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -13159,8 +13314,10 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -13173,9 +13330,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc:46:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -13188,25 +13344,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc:43:34: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -13240,10 +13380,25 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc:46:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/segment.cc:43:34: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -13256,46 +13411,66 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Localisation_filter.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segmentmapper.h:30, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/segmentmapper.cc:24: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -13308,8 +13483,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -13346,7 +13521,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -13360,11 +13535,12 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/Localisation_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Localisation_filter.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.cc +[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -13377,14 +13553,11 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/OscillatorStrength_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segmentmapper.h:30, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/segmentmapper.cc:24: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gw.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_cda.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -13394,8 +13567,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 67%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o -MF CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o.d -o CMakeFiles/votca_xtp.dir/statefilters/Overlap_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -13437,31 +13608,15 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statesaver.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statesaver.cc.o -MF CMakeFiles/votca_xtp.dir/statesaver.cc.o.d -o CMakeFiles/votca_xtp.dir/statesaver.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statesaver.cc -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statetracker.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statetracker.cc.o -MF CMakeFiles/votca_xtp.dir/statetracker.cc.o.d -o CMakeFiles/votca_xtp.dir/statetracker.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statetracker.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/staticsite.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/staticsite.cc.o -MF CMakeFiles/votca_xtp.dir/staticsite.cc.o.d -o CMakeFiles/votca_xtp.dir/staticsite.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/staticsite.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gw.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/self_energy_evaluators/sigma_cda.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/stateapplication.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/stateapplication.cc:25: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -13512,46 +13667,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -13578,17 +13695,11 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o -MF CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o.d -o CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/symmetric_matrix.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/stateapplication.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/stateapplication.cc:25: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/populationanalysis.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/DeltaQ_filter.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -13598,20 +13709,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -13653,36 +13750,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/threecenter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/threecenter.cc.o -MF CMakeFiles/votca_xtp.dir/threecenter.cc.o.d -o CMakeFiles/votca_xtp.dir/threecenter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/threecenter.cc -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/apdft.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/apdft.cc.o -MF CMakeFiles/votca_xtp.dir/tools/apdft.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/apdft.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/apdft.cc -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o -MF CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/dftgwbse.cc -[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o -MF CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/diabatization.cc -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gencube.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gencube.cc.o -MF CMakeFiles/votca_xtp.dir/tools/gencube.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/gencube.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/gencube.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o -MF CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/gpu_benchmark.cc -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o -MF CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/mol2orb.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -13717,9 +13786,11 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statesaver.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statesaver.cc.o -MF CMakeFiles/votca_xtp.dir/statesaver.cc.o.d -o CMakeFiles/votca_xtp.dir/statesaver.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statesaver.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -13733,14 +13804,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/molpol.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/molpol.cc.o -MF CMakeFiles/votca_xtp.dir/tools/molpol.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/molpol.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/molpol.cc -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o -MF CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2fchk.cc -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o -MF CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2mol.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -13748,15 +13813,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilter_base.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -13764,11 +13820,6 @@ /usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' 39 | CompType(const CompType &original); | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -13791,7 +13842,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -13805,6 +13856,20 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilter_base.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -13846,8 +13911,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -13884,7 +13949,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -13898,81 +13963,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/populationanalysis.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/DeltaQ_filter.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o -MF CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/spectrum.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statesaver.h:29, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statesaver.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statetracker.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/statetracker.cc.o -MF CMakeFiles/votca_xtp.dir/statetracker.cc.o.d -o CMakeFiles/votca_xtp.dir/statetracker.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/statetracker.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -13987,64 +13979,35 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Density_filter.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Density_filter.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/populationanalysis.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Localisation_filter.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; | ^~~ -[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/topology.cc.o In file included from /usr/include/hdf5/serial/H5Cpp.h:46, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/topology.cc.o -MF CMakeFiles/votca_xtp.dir/topology.cc.o.d -o CMakeFiles/votca_xtp.dir/topology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -14059,16 +14022,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/staticsite.cc:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:30: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -14110,11 +14063,14 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/staticsite.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/staticsite.cc.o -MF CMakeFiles/votca_xtp.dir/staticsite.cc.o.d -o CMakeFiles/votca_xtp.dir/staticsite.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/staticsite.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/populationanalysis.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Localisation_filter.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Density_filter.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Density_filter.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -14165,6 +14121,22 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o -MF CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o.d -o CMakeFiles/votca_xtp.dir/symmetric_matrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/symmetric_matrix.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -14231,8 +14203,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -14269,7 +14241,59 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -14285,6 +14309,21 @@ | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Density_filter.cc:68:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -14302,8 +14341,8 @@ from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.cc:24: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -14328,21 +14367,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -14369,23 +14393,24 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/transition_densities.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/transition_densities.cc.o -MF CMakeFiles/votca_xtp.dir/transition_densities.cc.o.d -o CMakeFiles/votca_xtp.dir/transition_densities.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/transition_densities.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statesaver.h:29, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statesaver.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -14422,19 +14447,6 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' @@ -14451,63 +14463,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/trustregion.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/trustregion.cc.o -MF CMakeFiles/votca_xtp.dir/trustregion.cc.o.d -o CMakeFiles/votca_xtp.dir/trustregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/trustregion.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statetracker.h:29, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/statetracker.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -14549,26 +14504,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/version.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/version.cc.o -MF CMakeFiles/votca_xtp.dir/version.cc.o.d -o CMakeFiles/votca_xtp.dir/version.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/version.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Density_filter.cc:68:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -14581,8 +14518,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/xtpapplication.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/xtpapplication.cc.o -MF CMakeFiles/votca_xtp.dir/xtpapplication.cc.o.d -o CMakeFiles/votca_xtp.dir/xtpapplication.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/xtpapplication.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -14635,55 +14570,12 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/polarregion.h:25, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/molpol.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -14693,9 +14585,49 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.cc:56:4: required from here +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -14708,8 +14640,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -14746,7 +14678,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -14762,7 +14694,25 @@ | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.cc:174:4: required from here +/build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/OscillatorStrength_filter.cc:56:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/threecenter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/threecenter.cc.o -MF CMakeFiles/votca_xtp.dir/threecenter.cc.o.d -o CMakeFiles/votca_xtp.dir/threecenter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/threecenter.cc +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/apdft.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/apdft.cc.o -MF CMakeFiles/votca_xtp.dir/tools/apdft.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/apdft.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/apdft.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -14827,54 +14777,48 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o -MF CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/dftgwbse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/dftgwbse.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/statefilters/Overlap_filter.cc:174:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ +In file included from /build/reproducible-path/votca-2024/xtp/src/libxtp/staticsite.cc:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:30: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 68%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o -MF CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/diabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/diabatization.cc +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gencube.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gencube.cc.o -MF CMakeFiles/votca_xtp.dir/tools/gencube.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/gencube.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/gencube.cc +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o -MF CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/gpu_benchmark.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/gpu_benchmark.cc +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o -MF CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/mol2orb.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/mol2orb.cc +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/molpol.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/molpol.cc.o -MF CMakeFiles/votca_xtp.dir/tools/molpol.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/molpol.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/molpol.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackage.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackagefactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/dftgwbse.cc:23: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statetracker.h:29, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/statetracker.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -14925,20 +14869,26 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/diabatization.h:29, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/diabatization.cc:18: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o -MF CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/orb2fchk.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2fchk.cc +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o -MF CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/orb2mol.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2mol.cc +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o -MF CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o.d -o CMakeFiles/votca_xtp.dir/tools/spectrum.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/spectrum.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -14991,101 +14941,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/apdft.cc:23: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -15138,11 +14993,12 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 70%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/topology.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/topology.cc.o -MF CMakeFiles/votca_xtp.dir/topology.cc.o.d -o CMakeFiles/votca_xtp.dir/topology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/cubefile_writer.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/gencube.cc:33: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/apdft.cc:23: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -15193,10 +15049,31 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/transition_densities.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/transition_densities.cc.o -MF CMakeFiles/votca_xtp.dir/transition_densities.cc.o.d -o CMakeFiles/votca_xtp.dir/transition_densities.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/transition_densities.cc +[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/trustregion.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/trustregion.cc.o -MF CMakeFiles/votca_xtp.dir/trustregion.cc.o.d -o CMakeFiles/votca_xtp.dir/trustregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/trustregion.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/polarregion.h:25, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/molpol.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/gpu_benchmark.cc:30: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/diabatization.h:29, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/diabatization.cc:18: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -15247,26 +15124,13 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbreorder.h:28, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2mol.h:28, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2mol.cc:1: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackage.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpackagefactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/dftgwbse.cc:23: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -15291,20 +15155,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -15331,34 +15181,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gaussianwriter.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2fchk.cc:26: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -15374,20 +15196,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -15414,21 +15222,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -15443,11 +15236,13 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/version.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/version.cc.o -MF CMakeFiles/votca_xtp.dir/version.cc.o.d -o CMakeFiles/votca_xtp.dir/version.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/version.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/molden.h:26, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/mol2orb.cc:7: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/cubefile_writer.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/gencube.cc:33: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -15457,6 +15252,20 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -15498,10 +15307,27 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 71%] Building CXX object xtp/src/libxtp/CMakeFiles/votca_xtp.dir/xtpapplication.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_SYSTEM_DYN_LINK -DBOOST_SYSTEM_NO_LIB -DBOOST_TIMER_DYN_LINK -DBOOST_TIMER_NO_LIB -DUSING_Libxc -Dvotca_xtp_EXPORTS -I/build/reproducible-path/votca-2024/xtp/src/libxtp -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fPIC -fopenmp -MD -MT xtp/src/libxtp/CMakeFiles/votca_xtp.dir/xtpapplication.cc.o -MF CMakeFiles/votca_xtp.dir/xtpapplication.cc.o.d -o CMakeFiles/votca_xtp.dir/xtpapplication.cc.o -c /build/reproducible-path/votca-2024/xtp/src/libxtp/xtpapplication.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/spectrum.cc:27: + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/gpu_benchmark.cc:30: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -15552,31 +15378,21 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:36, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc:30: +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/molden.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/mol2orb.cc:7: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; | ^~~ In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:29: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 178 | attr = loc.createAttribute(name, *strType, dp); @@ -15617,22 +15433,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -15669,7 +15471,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -15697,6 +15499,20 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -15763,6 +15579,20 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -15815,6 +15645,60 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/spectrum.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -15867,9 +15751,22 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc:185:4: required from here +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gaussianwriter.h:26, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2fchk.cc:26: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -15882,37 +15779,156 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc:186:4: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbreorder.h:28, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2mol.h:28, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/tools/orb2mol.cc:1: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:36, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc:30: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:29: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -15949,7 +15965,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -15963,6 +15979,20 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -16029,46 +16059,23 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc:185:4: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -16081,10 +16088,94 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/src/libxtp/topology.cc:186:4: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/transition_densities.h:29, + from /build/reproducible-path/votca-2024/xtp/src/libxtp/transition_densities.cc:21: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' @@ -16117,24 +16208,8 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -16169,20 +16244,22 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/transition_densities.h:29, - from /build/reproducible-path/votca-2024/xtp/src/libxtp/transition_densities.cc:21: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -16235,49 +16312,22 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -16314,7 +16364,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -16328,22 +16378,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -16380,7 +16416,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -16508,343 +16544,167 @@ make -f xtp/src/tools/CMakeFiles/xtp_map.dir/build.make xtp/src/tools/CMakeFiles/xtp_map.dir/depend make -f xtp/src/tools/CMakeFiles/xtp_run.dir/build.make xtp/src/tools/CMakeFiles/xtp_run.dir/depend make -f xtp/src/tools/CMakeFiles/xtp_tools.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_parallel.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_adiis.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_map.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_run.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_tools.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_adiis.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_parallel.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/depend make -f xtp/src/tests/CMakeFiles/unit_test_atom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_atom.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 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Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_atom.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build.make xtp/src/tests/CMakeFiles/unit_test_basisset.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_tools.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_bse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_basisset.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build.make xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_diis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diis.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bse.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eigen.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_eris.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eris.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diis.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build.make xtp/src/tests/CMakeFiles/unit_test_espfit.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_glink.dir/build.make xtp/src/tests/CMakeFiles/unit_test_glink.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eigen.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build.make xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_glink.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/DependInfo.cmake "--color=" -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_map.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_run.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ppm.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ppm.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests 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xtp/src/tools/CMakeFiles/xtp_map.dir/build.make xtp/src/tools/CMakeFiles/xtp_map.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_atom.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests 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/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/DependInfo.cmake "--color=" make -f xtp/src/tools/CMakeFiles/xtp_tools.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_atom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_atom.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_basisset.dir/DependInfo.cmake "--color=" make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_adiis.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build.make xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_bse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse.dir/build +make -f xtp/src/tools/CMakeFiles/xtp_run.dir/build.make xtp/src/tools/CMakeFiles/xtp_run.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build.make xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_diis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diis.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_atom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_atom.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_eris.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eris.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build.make xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_glink.dir/build.make xtp/src/tests/CMakeFiles/unit_test_glink.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/depend make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build +[ 71%] Building CXX object xtp/src/tools/CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build.make xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build.make xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tools/CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o -MF CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o.d -o CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tools/xtp_parallel.cc +[ 71%] Building CXX object xtp/src/tools/CMakeFiles/xtp_tools.dir/xtp_tools.cc.o +make -f xtp/src/tools/CMakeFiles/xtp_map.dir/build.make xtp/src/tools/CMakeFiles/xtp_map.dir/build +[ 71%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build +[ 71%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_atom.dir/test_atom.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tools/CMakeFiles/xtp_tools.dir/xtp_tools.cc.o -MF CMakeFiles/xtp_tools.dir/xtp_tools.cc.o.d -o CMakeFiles/xtp_tools.dir/xtp_tools.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tools/xtp_tools.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o -MF CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o.d -o CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmatom.cc make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 71%] Building CXX object xtp/src/tools/CMakeFiles/xtp_map.dir/xtp_map.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_atom.dir/test_atom.cc.o -MF CMakeFiles/unit_test_atom.dir/test_atom.cc.o.d -o CMakeFiles/unit_test_atom.dir/test_atom.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_atom.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 72%] Building CXX object xtp/src/tools/CMakeFiles/xtp_run.dir/xtp_run.cc.o make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 72%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o -make -f xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build -[ 72%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o +make -f xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build +[ 71%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o +make -f xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build +[ 72%] Building CXX object xtp/src/tools/CMakeFiles/xtp_run.dir/xtp_run.cc.o make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 72%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 72%] Building CXX object xtp/src/tools/CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tools/CMakeFiles/xtp_run.dir/xtp_run.cc.o -MF CMakeFiles/xtp_run.dir/xtp_run.cc.o.d -o CMakeFiles/xtp_run.dir/xtp_run.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tools/xtp_run.cc cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o -MF CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o.d -o CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aomatrix.cc -[ 72%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o -MF CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o.d -o CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_adiis.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build.make xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tools/CMakeFiles/xtp_run.dir/xtp_run.cc.o -MF CMakeFiles/xtp_run.dir/xtp_run.cc.o.d -o CMakeFiles/xtp_run.dir/xtp_run.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tools/xtp_run.cc -[ 72%] Building CXX object xtp/src/tools/CMakeFiles/xtp_tools.dir/xtp_tools.cc.o +[ 72%] Building CXX object xtp/src/tools/CMakeFiles/xtp_map.dir/xtp_map.cc.o +[ 72%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o -MF CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o.d -o CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aopotential.cc cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tools/CMakeFiles/xtp_map.dir/xtp_map.cc.o -MF CMakeFiles/xtp_map.dir/xtp_map.cc.o.d -o CMakeFiles/xtp_map.dir/xtp_map.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tools/xtp_map.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o -MF CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o.d -o CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aotransform.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o -MF CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o.d -o CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_convergenceacc.cc +make -f xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 72%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tools/CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o -MF CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o.d -o CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tools/xtp_parallel.cc -make -f xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o -make -f xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_atom.dir/test_atom.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o -MF CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o.d -o CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aomatrix3d.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tools/CMakeFiles/xtp_tools.dir/xtp_tools.cc.o -MF CMakeFiles/xtp_tools.dir/xtp_tools.cc.o.d -o CMakeFiles/xtp_tools.dir/xtp_tools.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tools/xtp_tools.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB 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-I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o -MF CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o.d -o CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aobasis.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK 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-I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o -MF CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o.d -o CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_basisset.dir/test_basisset.cc.o +make -f xtp/src/tests/CMakeFiles/unit_test_bse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o +make -f xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/test_bseoperator_btda.cc.o [ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK 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-I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o -MF CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o.d -o CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmmolecule.cc make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bse.dir/test_bse.cc.o -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/test_bseoperator_btda.cc.o +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o -MF CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o.d -o CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_adiis.cc +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_basisset.dir/test_basisset.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_basisset.dir/test_basisset.cc.o -MF CMakeFiles/unit_test_basisset.dir/test_basisset.cc.o.d -o CMakeFiles/unit_test_basisset.dir/test_basisset.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_basisset.cc [ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/test_bfgs_trm.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o -MF CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o.d -o CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aopotential.cc -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o -MF CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o.d -o CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmmolecule.cc -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/test_dftcoupling.cc.o -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_diis.dir/test_diis.cc.o -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/test_ecpaobasis.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/test_bfgs_trm.cc.o -MF CMakeFiles/unit_test_bfgs_trm.dir/test_bfgs_trm.cc.o.d -o CMakeFiles/unit_test_bfgs_trm.dir/test_bfgs_trm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_bfgs_trm.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/test_bseoperator_btda.cc.o -MF CMakeFiles/unit_test_bseoperator_btda.dir/test_bseoperator_btda.cc.o.d -o CMakeFiles/unit_test_bseoperator_btda.dir/test_bseoperator_btda.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_bseoperator_btda.cc +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bse.dir/test_bse.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_bse.dir/test_bse.cc.o -MF CMakeFiles/unit_test_bse.dir/test_bse.cc.o.d -o CMakeFiles/unit_test_bse.dir/test_bse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_bse.cc -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_diis.dir/test_diis.cc.o -MF CMakeFiles/unit_test_diis.dir/test_diis.cc.o.d -o CMakeFiles/unit_test_diis.dir/test_diis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_diis.cc -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_glink.dir/test_glink.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o -MF CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o.d -o CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_convergenceacc.cc -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_eris.dir/test_eris.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o -MF CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o.d -o CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_espfit.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB 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/usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o -MF CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o.d -o CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc +[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/test_dftcoupling.cc.o cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB 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-I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o -MF CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o.d -o CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_staticsite.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o -MF CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o.d -o CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmnblist.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o -MF CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o.d -o CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmpair.cc -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK 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-I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o -MF CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o.d -o CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB 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CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o.d -o CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmstate.cc -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o -MF CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o.d -o CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa_h2p.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmmolecule.cc:24: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -16857,8 +16717,12 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc:24: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobcalculator.h:32, + from /build/reproducible-path/votca-2024/xtp/src/tools/xtp_parallel.cc:21: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -16868,44 +16732,17 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_convergenceacc.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ @@ -16950,104 +16787,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/espfit.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_espfit.cc:25: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/src/tests/test_qmmolecule.cc:90:17: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -[ 74%] Linking CXX executable unit_test_glink -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_glink.dir/link.txt --verbose=1 -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_glink.dir/test_glink.cc.o -o unit_test_glink -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/src/tests/test_qmmolecule.cc:90:17: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -17093,7 +16832,7 @@ from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_ecpaobasis.cc:17: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmmolecule.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -17103,7 +16842,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, @@ -17122,167 +16860,21 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 74%] Built target unit_test_glink -make -f xtp/src/tests/CMakeFiles/unit_test_segment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segment.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segment.dir/DependInfo.cmake "--color=" -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_segment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segment.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 74%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_segment.dir/test_segment.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_segment.dir/test_segment.cc.o -MF CMakeFiles/unit_test_segment.dir/test_segment.cc.o.d -o CMakeFiles/unit_test_segment.dir/test_segment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_segment.cc -[ 74%] Linking CXX executable xtp_tools -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtp_tools.dir/link.txt --verbose=1 -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmnblist.cc:24: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/xtp_tools.dir/xtp_tools.cc.o -o xtp_tools -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial: ../libxtp/libvotca_xtp.so.2024 ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' -/build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc:161:17: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 178 | attr = loc.createAttribute(name, *strType, dp); | ^ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 180 | attr = loc.openAttribute(name); | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -17309,49 +16901,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_hdf5.cc:29: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmpair.cc:24: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' -/build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc:161:17: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -17381,82 +16930,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 74%] Linking CXX executable unit_test_qmstate -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/md2qmengine.h:27, - from /build/reproducible-path/votca-2024/xtp/src/tools/xtp_map.cc:34: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmstate.dir/link.txt --verbose=1 -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o -o unit_test_qmstate -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -17499,9 +16972,13 @@ | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_convergenceacc.cc:28: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/md2qmengine.h:27, + from /build/reproducible-path/votca-2024/xtp/src/tools/xtp_map.cc:34: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -17593,183 +17070,20 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 75%] Linking CXX executable unit_test_qmatom -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmatom.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o -o unit_test_qmatom -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_aomatrix3d.cc:26: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_basisset.cc:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_bse.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 75%] Built target xtp_tools -make -f xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/DependInfo.cmake "--color=" -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 75%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o -MF CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o.d -o CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aoshell.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -17806,16 +17120,6 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -[ 75%] Built target unit_test_qmstate -make -f xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/depend -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_vxc_grid.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' @@ -17823,11 +17127,6 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ @@ -17837,35 +17136,24 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/topology.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobcalculator.h:32, - from /build/reproducible-path/votca-2024/xtp/src/tools/xtp_parallel.cc:21: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_basisset.cc:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -17875,6 +17163,42 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/src/tests/test_qmmolecule.cc:90:17: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -17891,7 +17215,6 @@ /usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' 39 | CompType(const CompType &original); | ^~~~~~~~ -[ 75%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -17912,11 +17235,21 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); | ^ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o -MF CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o.d -o CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sphere_lebedev_rule.cc +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' @@ -17933,56 +17266,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_vxc_potential.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -18009,64 +17292,27 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/src/tests/test_qmmolecule.cc:90:17: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_aotransform.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_radial_euler_maclaurin_rule.cc:27: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_bse.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -18076,9 +17322,9 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc:161:17: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -18112,37 +17358,6 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -18184,46 +17399,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_aopotential.cc:24: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -18238,8 +17413,10 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/src/tests/test_polarsegment.cc:161:17: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -18252,129 +17429,122 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa.cc:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 75%] Linking CXX executable unit_test_qmatom +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmatom.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o -o unit_test_qmatom -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 75%] Linking CXX executable xtp_tools +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtp_tools.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/xtp_tools.dir/xtp_tools.cc.o -o xtp_tools -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial: ../libxtp/libvotca_xtp.so.2024 ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [ 75%] Built target unit_test_qmatom -make -f xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build.make xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/depend -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +make -f xtp/src/tests/CMakeFiles/unit_test_diis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diis.dir/depend +[ 75%] Built target xtp_tools +make -f xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/DependInfo.cmake "--color=" -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diis.dir/DependInfo.cmake "--color=" +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/DependInfo.cmake "--color=" +[ 75%] Linking CXX executable xtp_run +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtp_run.dir/link.txt --verbose=1 make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build.make xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_diis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diis.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/xtp_run.dir/xtp_run.cc.o -o xtp_run -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial: ../libxtp/libvotca_xtp.so.2024 ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 75%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o -MF CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o.d -o CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_statetracker.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 75%] Linking CXX executable unit_test_adiis -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa_h2p.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +[ 75%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_diis.dir/test_diis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_diis.dir/test_diis.cc.o -MF CMakeFiles/unit_test_diis.dir/test_diis.cc.o.d -o CMakeFiles/unit_test_diis.dir/test_diis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_diis.cc +[ 75%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/test_ecpaobasis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/test_ecpaobasis.cc.o -MF CMakeFiles/unit_test_ecpaobasis.dir/test_ecpaobasis.cc.o.d -o CMakeFiles/unit_test_ecpaobasis.dir/test_ecpaobasis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_ecpaobasis.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +[ 76%] Linking CXX executable unit_test_atom +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_atom.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_atom.dir/test_atom.cc.o -o unit_test_atom -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_densityintegration.cc:30: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_aotransform.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -18384,8 +17554,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_adiis.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o -o unit_test_adiis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -18427,51 +17595,25 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_aobasis.cc:32: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_aopotential.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -18481,6 +17623,10 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 76%] Linking CXX executable unit_test_adiis +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_adiis.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o -o unit_test_adiis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -18522,20 +17668,30 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_ppm.cc:25: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +[ 76%] Built target xtp_run +make -f xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eigen.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eigen.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o -MF CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o.d -o CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_eigen.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, @@ -18551,66 +17707,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -18619,38 +17715,16 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 164 | attr = loc.openAttribute(name); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_orbitals.cc:30: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_aomatrix.cc:26: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -18675,6 +17749,21 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -18701,145 +17790,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/cubefile_writer.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_cubefile_writer.cc:30: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 75%] Linking CXX executable xtp_run -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtp_run.dir/link.txt --verbose=1 /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -18866,53 +17816,10 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/xtp_run.dir/xtp_run.cc.o -o xtp_run -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial: ../libxtp/libvotca_xtp.so.2024 ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_regular_grid.cc:28: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_aobasis.cc:32: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -18922,6 +17829,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Built target unit_test_adiis In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -18937,25 +17846,7 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +make -f xtp/src/tests/CMakeFiles/unit_test_eris.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eris.dir/depend /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -18982,34 +17873,25 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eris.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 75%] Built target unit_test_adiis -make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/depend -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +make -f xtp/src/tests/CMakeFiles/unit_test_eris.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eris.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_eris.dir/test_eris.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_eris.dir/test_eris.cc.o -MF CMakeFiles/unit_test_eris.dir/test_eris.cc.o.d -o CMakeFiles/unit_test_eris.dir/test_eris.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_eris.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Built target unit_test_atom +make -f xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build.make xtp/src/tests/CMakeFiles/unit_test_espfit.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_espfit.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build.make xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o -MF CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o.d -o CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_espfit.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -19044,59 +17926,22 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/DependInfo.cmake "--color=" -[ 76%] Linking CXX executable unit_test_atom -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_atom.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_atom.dir/test_atom.cc.o -o unit_test_atom -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 164 | attr = loc.openAttribute(name); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_eris.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o -MF CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o.d -o CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_symmetric_matrix.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -19111,21 +17956,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -19140,51 +17970,10 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_aomatrix.cc:26: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_aomatrix3d.cc:26: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -19194,21 +17983,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -19264,67 +18038,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 76%] Built target xtp_run -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/DependInfo.cmake "--color=" -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o -MF CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o.d -o CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_dft.cc -[ 76%] Built target unit_test_atom -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 77%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -19333,16 +18046,15 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o -MF CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o.d -o CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_gwbse.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 164 | attr = loc.openAttribute(name); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/src/tests/test_hdf5.cc:246:17: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -19376,64 +18088,13 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/src/tests/test_hdf5.cc:246:17: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -19470,6 +18131,15 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' @@ -19604,58 +18274,23 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +[ 76%] Linking CXX executable unit_test_basisset +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_basisset.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_basisset.dir/test_basisset.cc.o -o unit_test_basisset -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_ecpaobasis.cc:17: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -19708,58 +18343,47 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -19864,8 +18488,21 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Linking CXX executable unit_test_qmmolecule +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmmolecule.dir/link.txt --verbose=1 +[ 76%] Built target unit_test_basisset +make -f xtp/src/tests/CMakeFiles/unit_test_glink.dir/build.make xtp/src/tests/CMakeFiles/unit_test_glink.dir/depend +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o -o unit_test_qmmolecule -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_glink.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_glink.dir/build.make xtp/src/tests/CMakeFiles/unit_test_glink.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_glink.dir/test_glink.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_glink.dir/test_glink.cc.o -MF CMakeFiles/unit_test_glink.dir/test_glink.cc.o.d -o CMakeFiles/unit_test_glink.dir/test_glink.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_glink.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -19902,7 +18539,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -19916,100 +18553,87 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Built target unit_test_qmmolecule +make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/DependInfo.cmake "--color=" +[ 76%] Linking CXX executable xtp_parallel +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtp_parallel.dir/link.txt --verbose=1 +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o -o xtp_parallel -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial: ../libxtp/libvotca_xtp.so.2024 ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/test_hdf5.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/test_hdf5.cc.o -MF CMakeFiles/unit_test_hdf5.dir/test_hdf5.cc.o.d -o CMakeFiles/unit_test_hdf5.dir/test_hdf5.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_hdf5.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/espfit.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_espfit.cc:25: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Built target xtp_parallel +make -f xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build.make xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/DependInfo.cmake "--color=" +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 79%] Linking CXX executable unit_test_diis -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_diis.dir/link.txt --verbose=1 -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build.make xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o -MF CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o.d -o CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_cubefile_writer.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -20022,59 +18646,79 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_diis.dir/test_diis.cc.o -o unit_test_diis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_eris.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 76%] Linking CXX executable unit_test_aotransform +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aotransform.dir/link.txt --verbose=1 +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o -o unit_test_aotransform -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 77%] Linking CXX executable unit_test_bseoperator_btda +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bseoperator_btda.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bseoperator_btda.dir/test_bseoperator_btda.cc.o -o unit_test_bseoperator_btda -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 77%] Linking CXX executable unit_test_bfgs_trm +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bfgs_trm.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bfgs_trm.dir/test_bfgs_trm.cc.o -o unit_test_bfgs_trm -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 77%] Built target unit_test_aotransform +make -f xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build.make xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build.make xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 77%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/test_densityintegration.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/test_densityintegration.cc.o -MF CMakeFiles/unit_test_densityintegration.dir/test_densityintegration.cc.o.d -o CMakeFiles/unit_test_densityintegration.dir/test_densityintegration.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_densityintegration.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -20127,58 +18771,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_segment.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -20191,46 +18785,41 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +[ 79%] Linking CXX executable unit_test_diis +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_diis.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_diis.dir/test_diis.cc.o -o unit_test_diis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_bseoperator_btda +make -f xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o -MF CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o.d -o CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_vxc_potential.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_bfgs_trm +make -f xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_diis +make -f xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/depend +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/DependInfo.cmake "--color=" +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/test_vxc_grid.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/test_vxc_grid.cc.o -MF CMakeFiles/unit_test_vxc_grid.dir/test_vxc_grid.cc.o.d -o CMakeFiles/unit_test_vxc_grid.dir/test_vxc_grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_vxc_grid.cc +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/test_regular_grid.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/test_regular_grid.cc.o -MF CMakeFiles/unit_test_regular_grid.dir/test_regular_grid.cc.o.d -o CMakeFiles/unit_test_regular_grid.dir/test_regular_grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_regular_grid.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -20243,46 +18832,21 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_hdf5.cc:29: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -20347,9 +18911,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 79%] Linking CXX executable unit_test_qmmolecule -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmmolecule.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o -o unit_test_qmmolecule -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -20391,71 +18952,35 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 79%] Linking CXX executable unit_test_polarsegment +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_polarsegment.dir/link.txt --verbose=1 +[ 79%] Linking CXX executable unit_test_glink +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_glink.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o -o unit_test_polarsegment -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_glink.dir/test_glink.cc.o -o unit_test_glink -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 79%] Built target unit_test_diis -make -f xtp/src/tests/CMakeFiles/unit_test_topology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_topology.dir/depend +[ 79%] Built target unit_test_glink +make -f xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_topology.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_topology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_topology.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_topology.dir/test_topology.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_topology.dir/test_topology.cc.o -MF CMakeFiles/unit_test_topology.dir/test_topology.cc.o.d -o CMakeFiles/unit_test_topology.dir/test_topology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_topology.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 79%] Linking CXX executable unit_test_basisset -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_basisset.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_basisset.dir/test_basisset.cc.o -o unit_test_basisset -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o -MF CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o.d -o CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_orbitals.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_polarsegment +make -f xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o -MF CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o.d -o CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_polarsite.cc +[ 79%] Linking CXX executable unit_test_aomatrix3d +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aomatrix3d.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o -o unit_test_aomatrix3d -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -20506,7 +19031,6 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' @@ -20523,141 +19047,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 79%] Built target unit_test_qmmolecule -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o -MF CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o.d -o CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_exact.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 79%] Linking CXX executable unit_test_staticsite -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_staticsite.dir/link.txt --verbose=1 -[ 80%] Linking CXX executable unit_test_qmpair -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmpair.dir/link.txt --verbose=1 -[ 80%] Built target unit_test_basisset -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/DependInfo.cmake "--color=" -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o -o unit_test_qmpair -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o -o unit_test_staticsite -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 80%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o -MF CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o.d -o CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_ppm.cc -[ 81%] Linking CXX executable unit_test_polarsite -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_polarsite.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o -o unit_test_polarsite -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/src/tests/test_hdf5.cc:246:17: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { | ^~~~~~~~ @@ -20691,11 +19083,10 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -[ 81%] Linking CXX executable xtp_parallel /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/src/tests/test_hdf5.cc:246:17: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -20708,58 +19099,60 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtp_parallel.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/xtp_parallel.dir/xtp_parallel.cc.o -o xtp_parallel -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial: ../libxtp/libvotca_xtp.so.2024 ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Built target unit_test_staticsite -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o -MF CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o.d -o CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_cda.cc +[ 79%] Linking CXX executable unit_test_aobasis +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aobasis.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o -o unit_test_aobasis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Built target unit_test_qmpair -make -f xtp/src/tests/CMakeFiles/unit_test_gw.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gw.dir/depend +[ 79%] Built target unit_test_aomatrix3d +make -f xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gw.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_gw.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gw.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gw.dir/test_gw.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gw.dir/test_gw.cc.o -MF CMakeFiles/unit_test_gw.dir/test_gw.cc.o.d -o CMakeFiles/unit_test_gw.dir/test_gw.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gw.cc +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o -MF CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o.d -o CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_staticsite.cc make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Built target unit_test_polarsite -make -f xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/depend +[ 79%] Built target unit_test_aobasis +make -f xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ppm.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ppm.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o -MF CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o.d -o CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_bse_operator.cc +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_ppm.dir/test_ppm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_ppm.dir/test_ppm.cc.o -MF CMakeFiles/unit_test_ppm.dir/test_ppm.cc.o.d -o CMakeFiles/unit_test_ppm.dir/test_ppm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_ppm.cc +[ 79%] Linking CXX executable unit_test_dftcoupling +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_dftcoupling.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_dftcoupling.dir/test_dftcoupling.cc.o -o unit_test_dftcoupling -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Linking CXX executable unit_test_qmnblist -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmnblist.dir/link.txt --verbose=1 -[ 81%] Built target xtp_parallel -make -f xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_davidson.dir/depend +[ 79%] Built target unit_test_dftcoupling +make -f xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_davidson.dir/DependInfo.cmake "--color=" -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o -o unit_test_qmnblist -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o -MF CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o.d -o CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_davidson.cc -[ 81%] Linking CXX executable unit_test_aotransform -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aotransform.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o -o unit_test_aotransform -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o -MF CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o.d -o CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmnblist.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_aoshell.cc:29: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/cubefile_writer.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_cubefile_writer.cc:30: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_densityintegration.cc:30: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -20769,11 +19162,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Built target unit_test_qmnblist -make -f xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build.make xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/DependInfo.cmake "--color=" In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -20802,8 +19190,7 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build.make xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build +[ 79%] Linking CXX executable unit_test_ecpaobasis /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 294 | parent = loc.createGroup(name); @@ -20817,26 +19204,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o -MF CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o.d -o CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_trustregion.cc -[ 81%] Linking CXX executable unit_test_bfgs_trm -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bfgs_trm.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bfgs_trm.dir/test_bfgs_trm.cc.o -o unit_test_bfgs_trm -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statetracker.h:29, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_statetracker.cc:33: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_ecpaobasis.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_ecpaobasis.dir/test_ecpaobasis.cc.o -o unit_test_ecpaobasis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -20878,30 +19247,24 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 81%] Built target unit_test_aotransform -make -f xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gnode.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gnode.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 83%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o -MF CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o.d -o CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gnode.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 83%] Built target unit_test_bfgs_trm -make -f xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 84%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o -MF CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o.d -o CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_vc2index.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_sphere_lebedev_rule.cc:28: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_vxc_grid.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -20966,23 +19329,73 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 84%] Linking CXX executable unit_test_vxc_grid -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_vxc_grid.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_vxc_grid.dir/test_vxc_grid.cc.o -o unit_test_vxc_grid -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_ecpaobasis +make -f xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o -MF CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o.d -o CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmpair.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_regular_grid.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 79%] Linking CXX executable unit_test_bse +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bse.dir/link.txt --verbose=1 +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bse.dir/test_bse.cc.o -o unit_test_bse -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -20997,6 +19410,12 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 79%] Linking CXX executable xtp_map +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtp_map.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/xtp_map.dir/xtp_map.cc.o -o xtp_map -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial: ../libxtp/libvotca_xtp.so.2024 ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 +[ 79%] Linking CXX executable unit_test_aopotential +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aopotential.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o -o unit_test_aopotential -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -21051,9 +19470,8 @@ | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_dft.cc:30: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_vxc_potential.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -21104,11 +19522,89 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target xtp_map +make -f xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/DependInfo.cmake "--color=" +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +make -f xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o -MF CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o.d -o CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmstate.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_bse +make -f xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/depend In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_gwbse.cc:29: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_orbitals.cc:30: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -21118,6 +19614,10 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -21133,6 +19633,7 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -21159,21 +19660,52 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 84%] Linking CXX executable unit_test_polarsegment -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_polarsegment.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o -o unit_test_polarsegment -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 85%] Linking CXX executable unit_test_bseoperator_btda -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bseoperator_btda.dir/link.txt --verbose=1 -[ 85%] Built target unit_test_vxc_grid -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bseoperator_btda.dir/test_bseoperator_btda.cc.o -o unit_test_bseoperator_btda -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make -f xtp/src/tests/CMakeFiles/unit_test_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_grid.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_grid.dir/DependInfo.cmake "--color=" +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o -MF CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o.d -o CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_radial_euler_maclaurin_rule.cc +[ 79%] Linking CXX executable unit_test_eris +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_eris.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_eris.dir/test_eris.cc.o -o unit_test_eris -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_grid.dir/build -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -21186,12 +19718,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 87%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_grid.dir/test_grid.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_grid.dir/test_grid.cc.o -MF CMakeFiles/unit_test_grid.dir/test_grid.cc.o.d -o CMakeFiles/unit_test_grid.dir/test_grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_grid.cc -[ 87%] Linking CXX executable unit_test_aomatrix3d -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aomatrix3d.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o -o unit_test_aomatrix3d -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -21206,12 +19732,20 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 79%] Built target unit_test_aopotential +make -f xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o -MF CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o.d -o CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_topology.cc:29: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/aopotential.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_ppm.cc:25: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -21221,6 +19755,20 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -21263,25 +19811,10 @@ 62 | Group(const Group &original); | ^~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 87%] Built target unit_test_bseoperator_btda -make -f xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 87%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o -MF CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o.d -o CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_segmentmapper.cc -[ 87%] Built target unit_test_polarsegment -make -f xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build +[ 79%] Built target unit_test_eris +make -f xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 87%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o -MF CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o.d -o CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_eeinteractor.cc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/DependInfo.cmake "--color=" /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -21334,6 +19867,17 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o -MF CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o.d -o CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa_h2p.cc +[ 79%] Linking CXX executable unit_test_aomatrix +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aomatrix.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o -o unit_test_aomatrix -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 79%] Linking CXX executable unit_test_convergenceacc +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_convergenceacc.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o -o unit_test_convergenceacc -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -21348,9 +19892,7 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 87%] Linking CXX executable unit_test_ecpaobasis -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_ecpaobasis.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_ecpaobasis.dir/test_ecpaobasis.cc.o -o unit_test_ecpaobasis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -21403,6 +19945,85 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 79%] Built target unit_test_aomatrix +make -f xtp/src/tests/CMakeFiles/unit_test_segment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segment.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segment.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_segment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segment.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_segment.dir/test_segment.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_segment.dir/test_segment.cc.o -MF CMakeFiles/unit_test_segment.dir/test_segment.cc.o.d -o CMakeFiles/unit_test_segment.dir/test_segment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_segment.cc +[ 79%] Linking CXX executable unit_test_espfit +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_espfit.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o -o unit_test_espfit -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_convergenceacc +make -f xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o -MF CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o.d -o CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_aoshell.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmnblist.h:30, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmnblist.cc:24: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -21455,62 +20076,88 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmpair.cc:24: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 88%] Linking CXX executable unit_test_densityintegration -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_densityintegration.dir/link.txt --verbose=1 -[ 88%] Built target unit_test_aomatrix3d -make -f xtp/src/tests/CMakeFiles/unit_test_hist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hist.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hist.dir/DependInfo.cmake "--color=" -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_densityintegration.dir/test_densityintegration.cc.o -o unit_test_densityintegration -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_hist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hist.dir/build +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 79%] Built target unit_test_espfit +make -f xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/depend +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Linking CXX executable unit_test_rpa -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_rpa.dir/link.txt --verbose=1 -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_hist.dir/test_hist.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_hist.dir/test_hist.cc.o -MF CMakeFiles/unit_test_hist.dir/test_hist.cc.o.d -o CMakeFiles/unit_test_hist.dir/test_hist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_hist.cc -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o -o unit_test_rpa -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/DependInfo.cmake "--color=" /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o -MF CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o.d -o CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sphere_lebedev_rule.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -21523,8 +20170,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 89%] Linking CXX executable unit_test_symmetric_matrix -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_symmetric_matrix.dir/link.txt --verbose=1 /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -21561,7 +20206,6 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o -o unit_test_symmetric_matrix -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' @@ -21578,13 +20222,11 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 89%] Linking CXX executable unit_test_espfit -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_espfit.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o -o unit_test_espfit -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 89%] Linking CXX executable unit_test_aobasis -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aobasis.dir/link.txt --verbose=1 -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +[ 79%] Linking CXX executable unit_test_staticsite +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_staticsite.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_staticsite.dir/test_staticsite.cc.o -o unit_test_staticsite -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -21621,7 +20263,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -21635,85 +20277,31 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o -o unit_test_aobasis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Linking CXX executable unit_test_vxc_potential -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_vxc_potential.dir/link.txt --verbose=1 -[ 89%] Built target unit_test_ecpaobasis -make -f xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/DependInfo.cmake "--color=" -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o -o unit_test_vxc_potential -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o -MF CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o.d -o CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmfragment.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_densityintegration -make -f xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/DependInfo.cmake "--color=" -[ 89%] Built target unit_test_rpa -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/DependInfo.cmake "--color=" -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build -[ 89%] Linking CXX executable unit_test_segment -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o -MF CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o.d -o CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_jobtopology.cc -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Linking CXX executable unit_test_eris -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_segment.dir/link.txt --verbose=1 -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_eris.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_eris.dir/test_eris.cc.o -o unit_test_eris -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o -MF CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o.d -o CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_dipoledipoleinteraction.cc -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_segment.dir/test_segment.cc.o -o unit_test_segment -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_symmetric_matrix -make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o -MF CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o.d -o CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_populationanalysis.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_espfit -make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orca.dir/DependInfo.cmake "--color=" -[ 89%] Linking CXX executable unit_test_rpa_h2p -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_rpa_h2p.dir/link.txt --verbose=1 -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o -o unit_test_rpa_h2p -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_orca.dir/test_orca.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_orca.dir/test_orca.cc.o -MF CMakeFiles/unit_test_orca.dir/test_orca.cc.o.d -o CMakeFiles/unit_test_orca.dir/test_orca.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_orca.cc make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_aobasis -make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/depend +[ 79%] Built target unit_test_staticsite +make -f xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build.make xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build.make xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o -MF CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o.d -o CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_dftengine.cc -[ 89%] Linking CXX executable unit_test_orbitals -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_orbitals.dir/link.txt --verbose=1 +[ 79%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o -MF CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o.d -o CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_statetracker.cc +[ 79%] Linking CXX executable unit_test_vxc_grid +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_vxc_grid.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_vxc_grid.dir/test_vxc_grid.cc.o -o unit_test_vxc_grid -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 80%] Linking CXX executable unit_test_polarsite +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_polarsite.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o -o unit_test_polarsite -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 80%] Linking CXX executable unit_test_qmstate +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmstate.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o -o unit_test_qmstate -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 80%] Linking CXX executable unit_test_cubefile_writer +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_cubefile_writer.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o -o unit_test_cubefile_writer -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_exact.cc:33: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_segment.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -21723,11 +20311,30 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o -o unit_test_orbitals -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 80%] Built target unit_test_vxc_grid +make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 80%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o -MF CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o.d -o CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_symmetric_matrix.cc +[ 80%] Built target unit_test_qmstate +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 80%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o -MF CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o.d -o CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_dft.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_ppm.cc:33: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa.cc:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -21778,6 +20385,9 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 81%] Linking CXX executable unit_test_densityintegration +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_densityintegration.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_densityintegration.dir/test_densityintegration.cc.o -o unit_test_densityintegration -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -21819,69 +20429,10 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_segment -make -f xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o -MF CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o.d -o CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_bsecoupling.cc -[ 89%] Built target unit_test_vxc_potential -make -f xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Linking CXX executable unit_test_regular_grid -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_regular_grid.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_regular_grid.dir/test_regular_grid.cc.o -o unit_test_regular_grid -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 89%] Linking CXX executable unit_test_radial_euler_maclaurin_rule -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o -MF CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o.d -o CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_rate_engine.cc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o -o unit_test_radial_euler_maclaurin_rule -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_eris -make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o -[ 89%] Built target unit_test_rpa_h2p -make -f xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o -MF CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o.d -o CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_DeltaQ_filter.cc -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Linking CXX executable unit_test_cubefile_writer -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_cubefile_writer.dir/link.txt --verbose=1 -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o -MF CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o.d -o CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_oscillatorstrength_filter.cc -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o -o unit_test_cubefile_writer -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_orbitals -make -f xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o -MF CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o.d -o CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_localisation_filter.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_cda.cc:33: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_radial_euler_maclaurin_rule.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -21933,72 +20484,16 @@ 62 | Group(const Group &original); | ^~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_regular_grid -make -f xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/depend +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 81%] Built target unit_test_cubefile_writer +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/DependInfo.cmake "--color=" -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_gnode.cc:32: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build +[ 81%] Built target unit_test_polarsite +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o -MF CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o.d -o CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_density_filter.cc -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ +make -f xtp/src/tests/CMakeFiles/unit_test_topology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_topology.dir/depend /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -22013,9 +20508,46 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -22028,19 +20560,15 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 89%] Built target unit_test_cubefile_writer -make -f xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/depend +[ 83%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/DependInfo.cmake "--color=" -[ 89%] Linking CXX executable unit_test_dftcoupling -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_dftcoupling.dir/link.txt --verbose=1 +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_topology.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o -MF CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o.d -o CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_gwbse.cc make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_topology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_topology.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_dftcoupling.dir/test_dftcoupling.cc.o -o unit_test_dftcoupling -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o -MF CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o.d -o CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_overlap_filter.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 83%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_topology.dir/test_topology.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_topology.dir/test_topology.cc.o -MF CMakeFiles/unit_test_topology.dir/test_topology.cc.o.d -o CMakeFiles/unit_test_topology.dir/test_topology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_topology.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -22055,14 +20583,23 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 89%] Built target unit_test_radial_euler_maclaurin_rule -make -f xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/depend +[ 83%] Linking CXX executable unit_test_hdf5 +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_hdf5.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_hdf5.dir/test_hdf5.cc.o -o unit_test_hdf5 -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 83%] Built target unit_test_densityintegration +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 83%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o -MF CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o.d -o CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_exact.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_bse_operator.cc:29: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_aoshell.cc:29: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -22072,14 +20609,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Linking CXX executable unit_test_vc2index -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_vc2index.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o -o unit_test_vc2index -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o -MF CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o.d -o CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_newton_rapson.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -22108,6 +20637,20 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 294 | parent = loc.createGroup(name); @@ -22121,14 +20664,62 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 89%] Linking CXX executable unit_test_trustregion -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_trustregion.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o -o unit_test_trustregion -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gw.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_gw.cc:28: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_rpa_h2p.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -22138,11 +20729,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_vc2index -make -f xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build.make xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/DependInfo.cmake "--color=" In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -22162,18 +20748,15 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); | ^ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 280 | parent = loc.openGroup(name); | ^ -make -f xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build.make xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 294 | parent = loc.createGroup(name); @@ -22187,10 +20770,11 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o -MF CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o.d -o CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_indexparser.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 83%] Built target unit_test_hdf5 +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/depend +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -22227,7 +20811,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -22241,33 +20825,16 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_dftcoupling -make -f xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/DependInfo.cmake "--color=" -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/DependInfo.cmake "--color=" +[ 84%] Linking CXX executable unit_test_qmpair +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmpair.dir/link.txt --verbose=1 make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o -MF CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o.d -o CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_orbreorder.cc -[ 89%] Linking CXX executable xtp_map -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/xtp_map.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/xtp_map.dir/xtp_map.cc.o -o xtp_map -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial: ../libxtp/libvotca_xtp.so.2024 ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o -o unit_test_qmpair -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 84%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o -MF CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o.d -o CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_ppm.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -22283,35 +20850,19 @@ 31 | Attribute(const Attribute &original); | ^~~~~~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_trustregion -make -f xtp/src/tests/CMakeFiles/unit_test_molden.dir/build.make xtp/src/tests/CMakeFiles/unit_test_molden.dir/depend +[ 84%] Built target unit_test_qmpair +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_molden.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_molden.dir/build.make xtp/src/tests/CMakeFiles/unit_test_molden.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_molden.dir/test_molden.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_molden.dir/test_molden.cc.o -MF CMakeFiles/unit_test_molden.dir/test_molden.cc.o.d -o CMakeFiles/unit_test_molden.dir/test_molden.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_molden.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ +[ 84%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o -MF CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o.d -o CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_cda.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/grid.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_grid.cc:29: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_sphere_lebedev_rule.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -22428,48 +20979,29 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Linking CXX executable unit_test_hdf5 -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dipoledipoleinteraction.h:23, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_eeinteractor.cc:28: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_hdf5.dir/link.txt --verbose=1 -[ 89%] Built target xtp_map -make -f xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/DependInfo.cmake "--color=" -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_hdf5.dir/test_hdf5.cc.o -o unit_test_hdf5 -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/hist.h:25, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_hist.cc:28: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -make -f xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o -MF CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o.d -o CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gaussianwriter.cc +[ 84%] Linking CXX executable unit_test_regular_grid +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_regular_grid.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_regular_grid.dir/test_regular_grid.cc.o -o unit_test_regular_grid -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 84%] Linking CXX executable unit_test_qmnblist +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmnblist.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o -o unit_test_qmnblist -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 84%] Linking CXX executable unit_test_orbitals +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_orbitals.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o -o unit_test_orbitals -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -22522,47 +21054,18 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 89%] Linking CXX executable unit_test_topology -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_topology.dir/link.txt --verbose=1 -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_topology.dir/test_topology.cc.o -o unit_test_topology -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_topology.cc:29: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ @@ -22659,23 +21162,38 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmfragment.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmfragment.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -[ 89%] Linking CXX executable unit_test_aomatrix -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aomatrix.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o -o unit_test_aomatrix -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 84%] Built target unit_test_orbitals +make -f xtp/src/tests/CMakeFiles/unit_test_gw.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gw.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gw.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_gw.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gw.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 84%] Built target unit_test_qmnblist +make -f xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/depend +[ 84%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gw.dir/test_gw.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gw.dir/test_gw.cc.o -MF CMakeFiles/unit_test_gw.dir/test_gw.cc.o.d -o CMakeFiles/unit_test_gw.dir/test_gw.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gw.cc +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -22712,6 +21230,7 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +[ 84%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' @@ -22728,12 +21247,77 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o -MF CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o.d -o CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_bse_operator.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 84%] Built target unit_test_regular_grid +make -f xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_davidson.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_davidson.dir/DependInfo.cmake "--color=" +[ 84%] Linking CXX executable unit_test_vxc_potential +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_vxc_potential.dir/link.txt --verbose=1 +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o -o unit_test_vxc_potential -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 84%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o -MF CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o.d -o CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_davidson.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segmentmapper.h:30, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_segmentmapper.cc:28: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statetracker.h:29, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_statetracker.cc:33: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -22784,13 +21368,21 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 84%] Built target unit_test_vxc_potential +make -f xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build.make xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build.make xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 84%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o -MF CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o.d -o CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_trustregion.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dipoledipoleinteraction.h:23, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_dipoledipoleinteraction.cc:27: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_dft.cc:30: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -22800,60 +21392,18 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Built target unit_test_hdf5 -make -f xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/DependInfo.cmake "--color=" -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ @@ -22871,9 +21421,46 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_threecenter_gwbse.cc:29: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -22889,8 +21476,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o -MF CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o.d -o CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_incrementalfockbuilder.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -22931,6 +21516,12 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 84%] Linking CXX executable unit_test_eigen +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_eigen.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o -o unit_test_eigen -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 84%] Linking CXX executable unit_test_segment +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_segment.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_segment.dir/test_segment.cc.o -o unit_test_segment -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -22945,12 +21536,110 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 89%] Linking CXX executable unit_test_aopotential -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aopotential.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o -o unit_test_aopotential -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_ppm.cc:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 84%] Built target unit_test_segment +make -f xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gnode.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gnode.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 85%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o -MF CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o.d -o CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gnode.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -22964,6 +21653,15 @@ 31 | Attribute(const Attribute &original); | ^~~~~~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 85%] Built target unit_test_eigen +make -f xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 87%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o -MF CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o.d -o CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_vc2index.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -23016,10 +21714,19 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 89%] Built target unit_test_topology -make -f xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build.make xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/DependInfo.cmake "--color=" +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_exact.cc:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23061,32 +21768,46 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build.make xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o -MF CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o.d -o CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_parallelism.cc -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 89%] Linking CXX executable unit_test_threecenter_dft -[ 89%] Built target unit_test_aomatrix -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_threecenter_dft.dir/link.txt --verbose=1 -make -f xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_anderson.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_anderson.dir/DependInfo.cmake "--color=" -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o -o unit_test_threecenter_dft -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o -MF CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o.d -o CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_anderson.cc -[ 90%] Linking CXX executable unit_test_bse -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bse.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bse.dir/test_bse.cc.o -o unit_test_bse -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/hist.h:101:4: required from 'void votca::xtp::hist::WriteMetric(const T&, std::string, votca::xtp::CheckpointWriter&) const [with T = double; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/hist.h:68:7: required from 'void votca::xtp::hist::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = double]' -/build/reproducible-path/votca-2024/xtp/src/tests/test_hist.cc:50:17: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -23099,7 +21820,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23114,26 +21834,30 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 90%] Built target unit_test_aopotential -make -f xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o -MF CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o.d -o CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gaussian_quadratures.cc -[ 92%] Linking CXX executable unit_test_statetracker -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_statetracker.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o -o unit_test_statetracker -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 92%] Built target unit_test_threecenter_dft -make -f xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/depend +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 87%] Linking CXX executable unit_test_symmetric_matrix +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_symmetric_matrix.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o -o unit_test_symmetric_matrix -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 88%] Linking CXX executable unit_test_rpa +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_rpa.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o -o unit_test_rpa -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/region.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobtopology.h:27, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_jobtopology.cc:24: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_sigma_cda.cc:33: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -23143,8 +21867,139 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -23157,23 +22012,29 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o -MF CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o.d -o CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_pmlocalization.cc -[ 92%] Built target unit_test_bse -make -f xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/depend +[ 88%] Built target unit_test_symmetric_matrix +make -f xtp/src/tests/CMakeFiles/unit_test_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_grid.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_grid.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_grid.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 93%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o -MF CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o.d -o CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_activedensitymatrix.cc +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_grid.dir/test_grid.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_grid.dir/test_grid.cc.o -MF CMakeFiles/unit_test_grid.dir/test_grid.cc.o.d -o CMakeFiles/unit_test_grid.dir/test_grid.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_grid.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_bse_operator.cc:29: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23215,13 +22076,12 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/rate_engine.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_rate_engine.cc:25: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gw.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_gw.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -23231,8 +22091,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 93%] Linking CXX executable unit_test_aoshell -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aoshell.dir/link.txt --verbose=1 +[ 89%] Linking CXX executable unit_test_topology +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_topology.dir/link.txt --verbose=1 In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23248,7 +22108,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o -o unit_test_aoshell -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -23275,14 +22134,16 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 93%] Built target unit_test_statetracker -make -f xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/depend +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_topology.dir/test_topology.cc.o -o unit_test_topology -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 89%] Built target unit_test_rpa +make -f xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o -MF CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o.d -o CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_segmentmapper.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23297,8 +22158,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 93%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o -MF CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o.d -o CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_activedftengine.cc +[ 89%] Linking CXX executable unit_test_trustregion +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_trustregion.dir/link.txt --verbose=1 /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23313,50 +22174,13 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 93%] Linking CXX executable unit_test_sphere_lebedev_rule -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sphere_lebedev_rule.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o -o unit_test_sphere_lebedev_rule -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o -o unit_test_trustregion -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 89%] Linking CXX executable unit_test_radial_euler_maclaurin_rule +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/test_radial_euler_maclaurin_rule.cc.o -o unit_test_radial_euler_maclaurin_rule -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -23369,23 +22193,111 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 93%] Built target unit_test_aoshell -make -f xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/depend +[ 89%] Built target unit_test_trustregion +make -f xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build -[ 93%] Linking CXX executable unit_test_threecenter_gwbse +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_threecenter_gwbse.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o -o unit_test_threecenter_gwbse -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 93%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o -MF CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o.d -o CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_truncdftengine.cc -[ 93%] Linking CXX executable unit_test_convergenceacc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_convergenceacc.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o -o unit_test_convergenceacc -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +[ 89%] Built target unit_test_radial_euler_maclaurin_rule +make -f xtp/src/tests/CMakeFiles/unit_test_hist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hist.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hist.dir/DependInfo.cmake "--color=" +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o -MF CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o.d -o CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_eeinteractor.cc +make -f xtp/src/tests/CMakeFiles/unit_test_hist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hist.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_hist.dir/test_hist.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_hist.dir/test_hist.cc.o -MF CMakeFiles/unit_test_hist.dir/test_hist.cc.o.d -o CMakeFiles/unit_test_hist.dir/test_hist.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_hist.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Built target unit_test_topology +make -f xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o -MF CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o.d -o CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_qmfragment.cc +[ 89%] Linking CXX executable unit_test_aoshell +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_aoshell.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o -o unit_test_aoshell -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gnode.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_gnode.cc:32: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -23422,7 +22334,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -23436,25 +22348,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 93%] Linking CXX executable unit_test_gnode -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gnode.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o -o unit_test_gnode -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_orca.cc:30: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -23489,11 +22384,9 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -[ 93%] Built target unit_test_sphere_lebedev_rule -make -f xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/depend /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -23507,18 +22400,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 93%] Linking CXX executable unit_test_qmfragment -[ 93%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmfragment.dir/link.txt --verbose=1 -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o -MF CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o.d -o CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_diabatization.cc -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -23553,10 +22436,9 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o -o unit_test_qmfragment -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -23570,11 +22452,18 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 93%] Linking CXX executable unit_test_indexparser -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_indexparser.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o -o unit_test_indexparser -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Built target unit_test_aoshell +make -f xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o -MF CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o.d -o CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_jobtopology.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -23609,13 +22498,9 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -[ 93%] Built target unit_test_threecenter_gwbse -make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/DependInfo.cmake "--color=" /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -23629,14 +22514,80 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 89%] Linking CXX executable unit_test_vc2index +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_vc2index.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o -o unit_test_vc2index -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build +[ 89%] Built target unit_test_vc2index +make -f xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o -MF CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o.d -o CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_dipoledipoleinteraction.cc +[ 89%] Linking CXX executable unit_test_rpa_h2p +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_rpa_h2p.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o -o unit_test_rpa_h2p -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 89%] Linking CXX executable unit_test_sphere_lebedev_rule +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sphere_lebedev_rule.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o -o unit_test_sphere_lebedev_rule -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 89%] Linking CXX executable unit_test_threecenter_gwbse +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_threecenter_gwbse.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o -o unit_test_threecenter_gwbse -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 89%] Linking CXX executable unit_test_threecenter_dft +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_threecenter_dft.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o -o unit_test_threecenter_dft -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Built target unit_test_rpa_h2p +make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o -MF CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o.d -o CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_populationanalysis.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Built target unit_test_sphere_lebedev_rule +make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orca.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_orca.dir/test_orca.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_orca.dir/test_orca.cc.o -MF CMakeFiles/unit_test_orca.dir/test_orca.cc.o.d -o CMakeFiles/unit_test_orca.dir/test_orca.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_orca.cc +[ 89%] Built target unit_test_threecenter_gwbse +make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build +[ 89%] Built target unit_test_threecenter_dft +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/DependInfo.cmake "--color=" +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o -MF CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o.d -o CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_dftengine.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 89%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o -MF CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o.d -o CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_bsecoupling.cc +[ 90%] Linking CXX executable unit_test_statetracker +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_statetracker.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o -o unit_test_statetracker -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_dftengine.cc:28: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmmolecule.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/grid.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_grid.cc:29: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -23646,8 +22597,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 93%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o -MF CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o.d -o CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_transition_densities.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23663,7 +22612,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -23691,6 +22639,74 @@ 62 | Group(const Group &original); | ^~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Built target unit_test_statetracker +make -f xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/DependInfo.cmake "--color=" +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o -MF CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o.d -o CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_rate_engine.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dipoledipoleinteraction.h:23, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_eeinteractor.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segmentmapper.h:30, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_segmentmapper.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmfragment.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_qmfragment.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23732,19 +22748,10 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 93%] Built target unit_test_convergenceacc -make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_oscillatorstrength_filter.cc:30: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/hist.h:25, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_hist.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -23754,8 +22761,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 93%] Building xtp_parallel manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_parallel --format groff --out xtp_parallel.man In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23797,69 +22802,63 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 93%] Linking CXX executable unit_test_grid -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_grid.dir/link.txt --verbose=1 -[ 93%] Built target unit_test_gnode -make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/DependInfo.cmake "--color=" -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_grid.dir/test_grid.cc.o -o unit_test_grid -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_density_filter.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_overlap_filter.cc:27: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 93%] Built target xtp_parallel_manpage -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bsecoupling.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_bsecoupling.cc:26: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 178 | attr = loc.createAttribute(name, *strType, dp); | ^ -make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/depend In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); @@ -23870,10 +22869,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/DependInfo.cmake "--color=" -[ 94%] Building xtp_map manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_map --format groff --out xtp_map.man /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -23900,6 +22895,20 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23915,13 +22924,10 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); | ^ -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ @@ -23944,6 +22950,54 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/classicalsegment.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/eeinteractor.h:25, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dipoledipoleinteraction.h:23, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_dipoledipoleinteraction.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 90%] Linking CXX executable unit_test_gnode +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gnode.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o -o unit_test_gnode -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -23959,8 +23013,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 94%] Building xtp_run manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_run --format groff --out xtp_run.man /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 278 | parent = loc.createGroup(name); @@ -23987,22 +23039,282 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +[ 90%] Linking CXX executable unit_test_sigma_exact +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sigma_exact.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o -o unit_test_sigma_exact -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 94%] Built target unit_test_indexparser -make -f xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/depend +[ 90%] Built target unit_test_gnode +make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/depend make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 94%] Building xtp_tools manpage -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_tools --format groff --out xtp_tools.man +[ 90%] Linking CXX executable unit_test_sigma_ppm +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sigma_ppm.dir/link.txt --verbose=1 +[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o -MF CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o.d -o CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_DeltaQ_filter.cc +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o -o unit_test_sigma_ppm -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/hist.h:101:4: required from 'void votca::xtp::hist::WriteMetric(const T&, std::string, votca::xtp::CheckpointWriter&) const [with T = double; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/hist.h:68:7: required from 'void votca::xtp::hist::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = double]' +/build/reproducible-path/votca-2024/xtp/src/tests/test_hist.cc:50:17: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Built target unit_test_sigma_exact +make -f xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o -MF CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o.d -o CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_oscillatorstrength_filter.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Built target unit_test_sigma_ppm +make -f xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/DependInfo.cmake "--color=" +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make -f xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o -MF CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o.d -o CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_localisation_filter.cc +[ 90%] Linking CXX executable unit_test_bse_operator +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bse_operator.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o -o unit_test_bse_operator -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::PolarSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::PolarSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 90%] Linking CXX executable unit_test_qmfragment +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_qmfragment.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_qmfragment.dir/test_qmfragment.cc.o -o unit_test_qmfragment -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Built target unit_test_bse_operator +make -f xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o -MF CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o.d -o CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_density_filter.cc +[ 92%] Linking CXX executable unit_test_sigma_cda +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sigma_cda.dir/link.txt --verbose=1 In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/populationanalysis.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_populationanalysis.cc:32: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/segment.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/qmpair.h:32, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/rate_engine.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_rate_engine.cc:25: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -24012,11 +23324,7 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 94%] Built target xtp_run_manpage -[ 94%] Linking CXX executable unit_test_newton_rapson -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_newton_rapson.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o -o unit_test_newton_rapson -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o -o unit_test_sigma_cda -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -24058,10 +23366,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 94%] Built target unit_test_qmfragment -[ 94%] Built target xtp_tools_manpage /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -24076,22 +23380,11 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 94%] Built target xtp_map_manpage -make -f CMakeFiles/manpages.dir/build.make CMakeFiles/manpages.dir/depend -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/CMakeFiles/manpages.dir/DependInfo.cmake "--color=" -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f CMakeFiles/manpages.dir/build.make CMakeFiles/manpages.dir/build -make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Nothing to be done for 'CMakeFiles/manpages.dir/build'. -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 94%] Built target manpages In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_localisation_filter.cc:27: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/region.h:30, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/jobtopology.h:27, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_jobtopology.cc:24: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -24101,6 +23394,19 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Built target unit_test_qmfragment +make -f xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o -MF CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o.d -o CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_overlap_filter.cc +[ 92%] Linking CXX executable unit_test_ppm +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_ppm.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_ppm.dir/test_ppm.cc.o -o unit_test_ppm -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -24143,11 +23449,52 @@ 62 | Group(const Group &original); | ^~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 94%] Built target unit_test_newton_rapson +[ 92%] Built target unit_test_sigma_cda +make -f xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/DependInfo.cmake "--color=" +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 94%] Built target unit_test_grid -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +make -f xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -24160,6 +23507,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o -MF CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o.d -o CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_newton_rapson.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -24176,10 +23526,9 @@ | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_DeltaQ_filter.cc:28: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_dftengine.cc:28: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -24230,113 +23579,12 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -[ 94%] Linking CXX executable unit_test_hist -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_hist.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_hist.dir/test_hist.cc.o -o unit_test_hist -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_orbreorder.cc:29: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/couplingbase.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/bsecoupling.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_bsecoupling.cc:26: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -24346,7 +23594,9 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 94%] Built target unit_test_hist +[ 92%] Linking CXX executable unit_test_grid +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_grid.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_grid.dir/test_grid.cc.o -o unit_test_grid -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -24388,14 +23638,51 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 94%] Linking CXX executable unit_test_sigma_exact -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sigma_exact.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o -o unit_test_sigma_exact -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 92%] Linking CXX executable unit_test_gw +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gw.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_gw.dir/test_gw.cc.o -o unit_test_gw -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Built target unit_test_ppm +make -f xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build.make xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build.make xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o -MF CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o.d -o CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_indexparser.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/molden.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_molden.cc:30: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_orca.cc:30: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/populationanalysis.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_populationanalysis.cc:32: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -24405,6 +23692,20 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -24446,8 +23747,11 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Built target unit_test_grid +make -f xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/depend +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::Atom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -24479,12 +23783,19 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here 42 | class CptTable { | ^~~~~~~~ +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/DependInfo.cmake "--color=" /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o -MF CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o.d -o CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_orbreorder.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::Atom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -24498,8 +23809,105 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Built target unit_test_gw +make -f xtp/src/tests/CMakeFiles/unit_test_molden.dir/build.make xtp/src/tests/CMakeFiles/unit_test_molden.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_molden.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_molden.dir/build.make xtp/src/tests/CMakeFiles/unit_test_molden.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_molden.dir/test_molden.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_molden.dir/test_molden.cc.o -MF CMakeFiles/unit_test_molden.dir/test_molden.cc.o.d -o CMakeFiles/unit_test_molden.dir/test_molden.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_molden.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 92%] Linking CXX executable unit_test_hist +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_hist.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_hist.dir/test_hist.cc.o -o unit_test_hist -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -24536,7 +23944,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -24550,6 +23958,16 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Built target unit_test_hist +make -f xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 92%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o -MF CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o.d -o CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gaussianwriter.cc /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -24586,25 +24004,6 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here 132 | table = CptTable(name, sizeof(typename T::data), loc_); | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:41: -/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' - 39 | CompType(const CompType &original); - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] - 42 | class CptTable { - | ^~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' @@ -24612,55 +24011,86 @@ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:25: -/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' - 136 | DSetCreatPropList(const DSetCreatPropList &orig); - | ^~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] - 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { - | ^~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 164 | attr = loc.openAttribute(name); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:24: -/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' - 52 | ObjCreatPropList(const ObjCreatPropList &original); - | ^~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here - 42 | class CptTable { - | ^~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here - 132 | table = CptTable(name, sizeof(typename T::data), loc_); - | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +[ 93%] Linking CXX executable unit_test_rate_engine +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_rate_engine.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o -o unit_test_rate_engine -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_oscillatorstrength_filter.cc:30: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 96%] Linking CXX executable unit_test_parallelism -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_parallelism.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o -o unit_test_parallelism -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 96%] Built target unit_test_sigma_exact -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +[ 93%] Built target unit_test_rate_engine +make -f xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 93%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o -MF CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o.d -o CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_incrementalfockbuilder.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::StaticSite; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 42 | class CptTable { @@ -24697,7 +24127,7 @@ | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::StaticSite]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); @@ -24711,23 +24141,118 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_DeltaQ_filter.cc:28: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_localisation_filter.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 96%] Linking CXX executable unit_test_gw -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gw.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_gw.dir/test_gw.cc.o -o unit_test_gw -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -24783,8 +24308,9 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gaussianwriter.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_gaussianwriter.cc:32: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_density_filter.cc:27: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -24836,7 +24362,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 294 | parent = loc.createGroup(name); @@ -24850,7 +24375,132 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 96%] Built target unit_test_parallelism +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 93%] Linking CXX executable unit_test_dipoledipoleinteraction +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_dipoledipoleinteraction.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o -o unit_test_dipoledipoleinteraction -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/statefilter_base.h:33, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/filterfactory.h:28, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_overlap_filter.cc:27: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 93%] Linking CXX executable unit_test_newton_rapson +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_newton_rapson.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o -o unit_test_newton_rapson -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 93%] Built target unit_test_dipoledipoleinteraction +make -f xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build.make xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build.make xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 93%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o -MF CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o.d -o CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_parallelism.cc +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 93%] Built target unit_test_newton_rapson +make -f xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_anderson.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_anderson.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 94%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o -MF CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o.d -o CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_anderson.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[ 94%] Linking CXX executable unit_test_jobtopology +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_jobtopology.dir/link.txt --verbose=1 /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -24903,9 +24553,7 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 96%] Linking CXX executable unit_test_incrementalfockbuilder -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_incrementalfockbuilder.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o -o unit_test_incrementalfockbuilder -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o -o unit_test_jobtopology -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -24958,10 +24606,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 96%] Built target unit_test_incrementalfockbuilder -[ 96%] Built target unit_test_gw /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -24976,18 +24620,77 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 96%] Linking CXX executable unit_test_sigma_ppm -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sigma_ppm.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o -o unit_test_sigma_ppm -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 96%] Linking CXX executable unit_test_anderson -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_anderson.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o -o unit_test_anderson -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 97%] Linking CXX executable unit_test_sigma_cda -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_sigma_cda.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_sigma_cda.dir/test_sigma_cda.cc.o -o unit_test_sigma_cda -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 97%] Linking CXX executable unit_test_jobtopology -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_jobtopology.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_jobtopology.dir/test_jobtopology.cc.o -o unit_test_jobtopology -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 94%] Built target unit_test_jobtopology +make -f xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/DependInfo.cmake "--color=" +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/molden.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_molden.cc:30: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 94%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o -MF CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o.d -o CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_gaussian_quadratures.cc +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +[ 94%] Linking CXX executable unit_test_segmentmapper +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_segmentmapper.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o -o unit_test_segmentmapper -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 94%] Linking CXX executable unit_test_indexparser +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_indexparser.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o -o unit_test_indexparser -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -25040,12 +24743,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 97%] Linking CXX executable unit_test_bse_operator -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bse_operator.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o -o unit_test_bse_operator -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 98%] Linking CXX executable unit_test_rate_engine -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_rate_engine.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o -o unit_test_rate_engine -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -25098,10 +24795,28 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_anderson +[ 94%] Built target unit_test_segmentmapper +make -f xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/DependInfo.cmake "--color=" make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_sigma_ppm +make -f xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -25154,18 +24869,13 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_sigma_cda -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_jobtopology -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_rate_engine -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_bse_operator +[ 94%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o -MF CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o.d -o CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_pmlocalization.cc In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_pmlocalization.cc:30: + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/gaussianwriter.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_gaussianwriter.cc:32: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -25216,6 +24926,30 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 94%] Built target unit_test_indexparser +make -f xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 96%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o -MF CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o.d -o CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_activedensitymatrix.cc +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -25268,11 +25002,46 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 98%] Linking CXX executable unit_test_dipoledipoleinteraction -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_dipoledipoleinteraction.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o -o unit_test_dipoledipoleinteraction -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] 162 | attr = loc.createAttribute(name, *dataType, dp); | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ @@ -25288,22 +25057,7 @@ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/erdiabatization.h:26, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_diabatization.cc:26: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_truncdftengine.cc:26: + from /build/reproducible-path/votca-2024/xtp/src/tests/test_orbreorder.cc:29: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] 81 | loc_ = loc; @@ -25354,63 +25108,221 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, - from /build/reproducible-path/votca-2024/xtp/src/tests/test_activedftengine.cc:26: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 81 | loc_ = loc; - | ^~~ -In file included from /usr/include/hdf5/serial/H5Cpp.h:46, - from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 178 | attr = loc.createAttribute(name, *strType, dp); - | ^ -In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 180 | attr = loc.openAttribute(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 278 | parent = loc.createGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 280 | parent = loc.openGroup(name); - | ^ -/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' - 62 | Group(const Group &original); - | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 294 | parent = loc.createGroup(name); - | ^ +[ 96%] Linking CXX executable unit_test_populationanalysis +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_populationanalysis.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o -o unit_test_populationanalysis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 97%] Linking CXX executable unit_test_parallelism +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_parallelism.dir/link.txt --verbose=1 +[ 97%] Linking CXX executable unit_test_incrementalfockbuilder +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_incrementalfockbuilder.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o -o unit_test_parallelism -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o -o unit_test_incrementalfockbuilder -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 97%] Linking CXX executable unit_test_eeinteractor +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_eeinteractor.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o -o unit_test_eeinteractor -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 97%] Built target unit_test_parallelism +make -f xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/DependInfo.cmake "--color=" +[ 97%] Built target unit_test_incrementalfockbuilder +make -f xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/DependInfo.cmake "--color=" +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] - 296 | parent = loc.openGroup(name); - | ^ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::CompType& H5::CompType::operator=(const H5::CompType&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:41: +/usr/include/hdf5/serial/H5CompType.h:39:5: note: because 'H5::CompType' has user-provided 'H5::CompType::CompType(const H5::CompType&)' + 39 | CompType(const CompType &original); + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: warning: implicitly-declared 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' is deprecated [-Wdeprecated-copy] + 42 | class CptTable { + | ^~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:25: +/usr/include/hdf5/serial/H5DcreatProp.h:136:5: note: because 'H5::DSetCreatPropList' has user-provided 'H5::DSetCreatPropList::DSetCreatPropList(const H5::DSetCreatPropList&)' + 136 | DSetCreatPropList(const DSetCreatPropList &orig); + | ^~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5DcreatProp.h:28:17: warning: implicitly-declared 'H5::ObjCreatPropList& H5::ObjCreatPropList::operator=(const H5::ObjCreatPropList&)' is deprecated [-Wdeprecated-copy] + 28 | class H5_DLLCPP DSetCreatPropList : public ObjCreatPropList { + | ^~~~~~~~~~~~~~~~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:24: +/usr/include/hdf5/serial/H5OcreatProp.h:52:5: note: because 'H5::ObjCreatPropList' has user-provided 'H5::ObjCreatPropList::ObjCreatPropList(const H5::ObjCreatPropList&)' + 52 | ObjCreatPropList(const ObjCreatPropList &original); + | ^~~~~~~~~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:42:7: note: synthesized method 'H5::DSetCreatPropList& H5::DSetCreatPropList::operator=(const H5::DSetCreatPropList&)' first required here + 42 | class CptTable { + | ^~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:132:13: note: synthesized method 'votca::xtp::CptTable& votca::xtp::CptTable::operator=(votca::xtp::CptTable&&)' first required here + 132 | table = CptTable(name, sizeof(typename T::data), loc_); + | ~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = int; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:158:6: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 97%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o -MF CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o.d -o CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_truncdftengine.cc +[ 97%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o -MF CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o.d -o CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_activedftengine.cc +[ 97%] Linking CXX executable unit_test_oscillatorstrength_filter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_oscillatorstrength_filter.dir/link.txt --verbose=1 +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o -o unit_test_oscillatorstrength_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 97%] Built target unit_test_eeinteractor +make -f xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/DependInfo.cmake "--color=" +[ 97%] Built target unit_test_populationanalysis +make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 97%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o -MF CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o.d -o CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_diabatization.cc +[ 97%] Linking CXX executable unit_test_anderson +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_anderson.dir/link.txt --verbose=1 +[ 97%] Building CXX object xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/c++ -DBOOST_PROGRAM_OPTIONS_DYN_LINK -DBOOST_PROGRAM_OPTIONS_NO_LIB -DBOOST_TEST_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_DYN_LINK -DBOOST_UNIT_TEST_FRAMEWORK_NO_LIB -DXTP_TEST_DATA_FOLDER=\"/build/reproducible-path/votca-2024/xtp/src/tests/DataFiles\" -I/build/reproducible-path/votca-2024/xtp/include -I/usr/include/hdf5/serial -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/include/votca/xtp -I/build/reproducible-path/votca-2024/csg/include -I/build/reproducible-path/votca-2024/tools/include -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include/votca/tools -I/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/include -isystem /usr/include/eigen3 -isystem /usr/include/libecpint -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -fopenmp -MD -MT xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o -MF CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o.d -o CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o -c /build/reproducible-path/votca-2024/xtp/src/tests/test_transition_densities.cc +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o -o unit_test_anderson -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 97%] Built target unit_test_oscillatorstrength_filter +make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 97%] Building xtp_parallel manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_parallel --format groff --out xtp_parallel.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 97%] Built target xtp_parallel_manpage +make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Building xtp_map manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_map --format groff --out xtp_map.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target unit_test_anderson +make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target xtp_map_manpage +make -f xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/DependInfo.cmake "--color=" +[ 98%] Linking CXX executable unit_test_DeltaQ_filter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_DeltaQ_filter.dir/link.txt --verbose=1 +[ 98%] Building xtp_run manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_run --format groff --out xtp_run.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o -o unit_test_DeltaQ_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 98%] Building xtp_tools manpage +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools && /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name xtp_tools --format groff --out xtp_tools.man +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target xtp_run_manpage +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target xtp_tools_manpage +make -f CMakeFiles/manpages.dir/build.make CMakeFiles/manpages.dir/depend +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/CMakeFiles/manpages.dir/DependInfo.cmake "--color=" +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f CMakeFiles/manpages.dir/build.make CMakeFiles/manpages.dir/build +make[4]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Nothing to be done for 'CMakeFiles/manpages.dir/build'. +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target manpages +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target unit_test_DeltaQ_filter +[ 98%] Linking CXX executable unit_test_bsecoupling +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bsecoupling.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o -o unit_test_bsecoupling -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 98%] Linking CXX executable unit_test_localisation_filter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_localisation_filter.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o -o unit_test_localisation_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 98%] Linking CXX executable unit_test_density_filter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_density_filter.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o -o unit_test_density_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 98%] Linking CXX executable unit_test_overlap_filter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_overlap_filter.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o -o unit_test_overlap_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target unit_test_bsecoupling +[ 98%] Built target unit_test_localisation_filter +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target unit_test_overlap_filter +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target unit_test_density_filter +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_pmlocalization.cc:30: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_dipoledipoleinteraction In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -25466,20 +25378,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -25521,41 +25419,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 98%] Linking CXX executable unit_test_segmentmapper -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_segmentmapper.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_segmentmapper.dir/test_segmentmapper.cc.o -o unit_test_segmentmapper -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 98%] Linking CXX executable unit_test_eigen -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_eigen.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o -o unit_test_eigen -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 162 | attr = loc.createAttribute(name, *dataType, dp); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ -/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] - 164 | attr = loc.openAttribute(name); - | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ -/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' - 31 | Attribute(const Attribute &original); - | ^~~~~~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -25570,9 +25433,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 98%] Linking CXX executable unit_test_gaussian_quadratures -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gaussian_quadratures.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o -o unit_test_gaussian_quadratures -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -25587,8 +25447,24 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +[ 98%] Linking CXX executable unit_test_gaussianwriter +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gaussianwriter.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o -o unit_test_gaussianwriter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[ 98%] Linking CXX executable unit_test_orca +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_orca.dir/link.txt --verbose=1 +[100%] Linking CXX executable unit_test_orbreorder +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_orbreorder.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_orca.dir/test_orca.cc.o -o unit_test_orca -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o -o unit_test_orbreorder -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[100%] Linking CXX executable unit_test_molden +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_molden.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_molden.dir/test_molden.cc.o -o unit_test_molden -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[100%] Built target unit_test_gaussianwriter +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_segmentmapper +[100%] Built target unit_test_molden +[100%] Built target unit_test_orbreorder /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -25641,8 +25517,6 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_eigen In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, @@ -25657,9 +25531,6 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ -[ 98%] Linking CXX executable unit_test_oscillatorstrength_filter -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_oscillatorstrength_filter.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o -o unit_test_oscillatorstrength_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -25701,6 +25572,8 @@ /usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' 62 | Group(const Group &original); | ^~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[100%] Built target unit_test_orca /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -25753,8 +25626,9 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_gaussian_quadratures +[100%] Linking CXX executable unit_test_gaussian_quadratures +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gaussian_quadratures.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o -o unit_test_gaussian_quadratures -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] @@ -25769,16 +25643,132 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 98%] Linking CXX executable unit_test_DeltaQ_filter -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_DeltaQ_filter.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o -o unit_test_DeltaQ_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_oscillatorstrength_filter -[ 98%] Linking CXX executable unit_test_ppm -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_ppm.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_ppm.dir/test_ppm.cc.o -o unit_test_ppm -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_truncdftengine.cc:26: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_DeltaQ_filter +[100%] Built target unit_test_gaussian_quadratures +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/orbitals.h:31, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/erdiabatization.h:26, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_diabatization.cc:26: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -25831,8 +25821,107 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_ppm +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointreader.h:34, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:29, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/ecpaobasis.h:24, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/dftengine.h:30, + from /build/reproducible-path/votca-2024/xtp/src/tests/test_activedftengine.cc:26: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In member function 'void votca::xtp::CptTable::initialize(const votca::xtp::CptLoc&, bool)': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h:81:12: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 81 | loc_ = loc; + | ^~~ +In file included from /usr/include/hdf5/serial/H5Cpp.h:46, + from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:25: +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +In file included from /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpoint.h:31: +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const std::string&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:178:52: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 178 | attr = loc.createAttribute(name, *strType, dp); + | ^ +In file included from /usr/include/hdf5/serial/H5Cpp.h:33: +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:180:36: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 180 | attr = loc.openAttribute(name); + | ^ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const std::vector >&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:278:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 278 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:280:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 280 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In member function 'void votca::xtp::CheckpointWriter::WriteData(const votca::xtp::CptLoc&, const votca::tools::EigenSystem&, const std::string&) const': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:294:36: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 294 | parent = loc.createGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:296:34: warning: implicitly-declared 'H5::Group& H5::Group::operator=(const H5::Group&)' is deprecated [-Wdeprecated-copy] + 296 | parent = loc.openGroup(name); + | ^ +/usr/include/hdf5/serial/H5Group.h:62:5: note: because 'H5::Group' has user-provided 'H5::Group::Group(const H5::Group&)' + 62 | Group(const Group &original); + | ^~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = long int; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:87:18: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h: In instantiation of 'void votca::xtp::CheckpointWriter::WriteScalar(const votca::xtp::CptLoc&, const T&, const std::string&) const [with T = double; votca::xtp::CptLoc = H5::Group; std::string = std::__cxx11::basic_string]': +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:74:18: required from 'typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type votca::xtp::CheckpointWriter::operator()(const T&, const std::string&) const [with T = double; typename std::enable_if<(std::is_fundamental<_Tp>::value && (! std::is_same::value))>::type = void; std::string = std::__cxx11::basic_string]' +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/bse_population.h:50:6: required from here +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:162:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 162 | attr = loc.createAttribute(name, *dataType, dp); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +/build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointwriter.h:164:12: warning: implicitly-declared 'H5::Attribute& H5::Attribute::operator=(const H5::Attribute&)' is deprecated [-Wdeprecated-copy] + 164 | attr = loc.openAttribute(name); + | ~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~ +/usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' + 31 | Attribute(const Attribute &original); + | ^~~~~~~~~ +[100%] Linking CXX executable unit_test_dftengine +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_dftengine.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o -o unit_test_dftengine -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -25885,6 +25974,8 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[100%] Built target unit_test_dftengine /build/reproducible-path/votca-2024/xtp/include/votca/xtp/checkpointtable.h: In instantiation of 'votca::xtp::CptTable votca::xtp::CheckpointWriter::openTable(const std::string&, std::size_t, bool) [with T = votca::xtp::QMAtom; std::string = std::__cxx11::basic_string; std::size_t = long unsigned int]': /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:160:36: required from 'void votca::xtp::AtomContainer::WriteToCpt(votca::xtp::CheckpointWriter&) const [with T = votca::xtp::QMAtom]' /build/reproducible-path/votca-2024/xtp/include/votca/xtp/atomcontainer.h:155:16: required from here @@ -25989,90 +26080,35 @@ /usr/include/hdf5/serial/H5Attribute.h:31:5: note: because 'H5::Attribute' has user-provided 'H5::Attribute::Attribute(const H5::Attribute&)' 31 | Attribute(const Attribute &original); | ^~~~~~~~~ -[ 98%] Linking CXX executable unit_test_overlap_filter -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_overlap_filter.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o -o unit_test_overlap_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[ 98%] Linking CXX executable unit_test_density_filter -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_density_filter.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o -o unit_test_density_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[100%] Linking CXX executable unit_test_orbreorder -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_orbreorder.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o -o unit_test_orbreorder -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_overlap_filter -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_density_filter -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_orbreorder -[100%] Linking CXX executable unit_test_molden -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_molden.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_molden.dir/test_molden.cc.o -o unit_test_molden -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[100%] Linking CXX executable unit_test_localisation_filter -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_localisation_filter.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o -o unit_test_localisation_filter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[100%] Linking CXX executable unit_test_gaussianwriter -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_gaussianwriter.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o -o unit_test_gaussianwriter -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_molden -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_localisation_filter -[100%] Linking CXX executable unit_test_populationanalysis -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_populationanalysis.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o -o unit_test_populationanalysis -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_gaussianwriter -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_populationanalysis -[100%] Linking CXX executable unit_test_orca -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_orca.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_orca.dir/test_orca.cc.o -o unit_test_orca -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Linking CXX executable unit_test_eeinteractor -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_eeinteractor.dir/link.txt --verbose=1 -[100%] Built target unit_test_orca -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_eeinteractor.dir/test_eeinteractor.cc.o -o unit_test_eeinteractor -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_eeinteractor [100%] Linking CXX executable unit_test_pmlocalization cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_pmlocalization.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o -o unit_test_pmlocalization -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -[100%] Linking CXX executable unit_test_diabatization -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_diabatization.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o -o unit_test_diabatization -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [100%] Built target unit_test_pmlocalization [100%] Linking CXX executable unit_test_activedensitymatrix cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_activedensitymatrix.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o -o unit_test_activedensitymatrix -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_diabatization -[100%] Linking CXX executable unit_test_bsecoupling -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_bsecoupling.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o -o unit_test_bsecoupling -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_activedensitymatrix -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_bsecoupling [100%] Linking CXX executable unit_test_transition_densities cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_transition_densities.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o -o unit_test_transition_densities -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[100%] Built target unit_test_activedensitymatrix make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [100%] Built target unit_test_transition_densities -[100%] Linking CXX executable unit_test_dftengine -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_dftengine.dir/link.txt --verbose=1 -/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o -o unit_test_dftengine -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +[100%] Linking CXX executable unit_test_diabatization +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_diabatization.dir/link.txt --verbose=1 +/usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o -o unit_test_diabatization -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_dftengine +[100%] Built target unit_test_diabatization [100%] Linking CXX executable unit_test_truncdftengine cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_truncdftengine.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o -o unit_test_truncdftengine -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so +make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[100%] Built target unit_test_truncdftengine [100%] Linking CXX executable unit_test_activedftengine cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_activedftengine.dir/link.txt --verbose=1 /usr/bin/c++ -g -O2 -ffile-prefix-map=/build/reproducible-path/votca-2024=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection -Wdate-time -D_FORTIFY_SOURCE=2 -Wall -Wextra -Wpedantic -Wshadow -Wconversion -Wl,-z,relro -Wl,-z,now CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o -o unit_test_activedftengine -Wl,-rpath,/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools:/usr/lib/x86_64-linux-gnu/hdf5/serial ../libxtp/libvotca_xtp.so.2024 /usr/lib/x86_64-linux-gnu/libboost_unit_test_framework.so.1.83.0 /usr/lib/x86_64-linux-gnu/libint2.so.2.0.4 /usr/lib/x86_64-linux-gnu/libecpint.a ../../../csg/src/libcsg/libvotca_csg.so.2024 ../../../tools/src/libtools/libvotca_tools.so.2024 /usr/lib/gcc/x86_64-linux-gnu/13/libgomp.so /usr/lib/x86_64-linux-gnu/libfftw3.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5_cpp.so /usr/lib/x86_64-linux-gnu/hdf5/serial/libhdf5.so /usr/lib/x86_64-linux-gnu/libcrypto.so /usr/lib/x86_64-linux-gnu/libcurl.so /usr/lib/x86_64-linux-gnu/libpthread.a /usr/lib/x86_64-linux-gnu/libsz.so /usr/lib/x86_64-linux-gnu/libz.so /usr/lib/x86_64-linux-gnu/libdl.a -lm /usr/lib/x86_64-linux-gnu/libboost_program_options.so.1.83.0 /usr/lib/x86_64-linux-gnu/libFaddeeva.a /usr/lib/x86_64-linux-gnu/libpugixml.so make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[100%] Built target unit_test_truncdftengine -make[4]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [100%] Built target unit_test_activedftengine [100%] Linking CXX executable unit_test_davidson cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests && /usr/bin/cmake -E cmake_link_script CMakeFiles/unit_test_davidson.dir/link.txt --verbose=1 @@ -26397,225 +26433,225 @@ make -f csg/scripts/CMakeFiles/csg-scripts-rst.dir/build.make csg/scripts/CMakeFiles/csg-scripts-rst.dir/build make[5]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [ 33%] Building csg_call rst doc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/csg_call.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/csg_call.rst [ 33%] Building csg_inverse rst doc -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_inverse --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/csg_inverse.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_inverse --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/csg_inverse.rst [ 33%] Building tag_file.sh rst doc (from tag file) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ tag\ file --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/tag_file.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ tag\ file --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/tag_file.sh.rst [ 33%] Building dummy.sh rst doc (from dummy dummy) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ dummy\ dummy --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/dummy.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ dummy\ dummy --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/dummy.sh.rst [ 33%] Building functions_common.sh rst doc (from functions common) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ common --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_common.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ common --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_common.sh.rst [ 33%] Building inverse.sh rst doc (from csg master) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ csg\ master --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/inverse.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ csg\ master --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/inverse.sh.rst [ 33%] Building check_csg_xml.py rst doc (from check csg_xml) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ check\ csg_xml --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/check_csg_xml.py.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ check\ csg_xml --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/check_csg_xml.py.rst [ 33%] Building prepare_generic.sh rst doc (from prepare ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_generic.sh.rst [ 33%] Building prepare_iie.sh rst doc (from prepare iie) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ iie --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_iie.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ iie --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_iie.sh.rst [ 33%] Building prepare_imc.sh rst doc (from prepare imc) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ imc --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_imc.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ imc --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_imc.sh.rst [ 33%] Building prepare_optimizer.sh rst doc (from prepare optimizer) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_optimizer.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_optimizer.sh.rst [ 35%] Building prepare_re.sh rst doc (from prepare re) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_re.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_re.sh.rst [ 35%] Building prepare_generic_single.sh rst doc (from prepare_single ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare_single\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_generic_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare_single\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_generic_single.sh.rst [ 35%] Building prepare_optimizer_single.sh rst doc (from prepare_single optimizer) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare_single\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_optimizer_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ prepare_single\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/prepare_optimizer_single.sh.rst [ 35%] Building initialize_step_generic.sh rst doc (from initstep ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_generic.sh.rst [ 35%] Building initialize_step_optimizer.sh rst doc (from initstep optimizer) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_optimizer.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_optimizer.sh.rst [ 35%] Building initialize_step_re.sh rst doc (from initstep re) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_re.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_re.sh.rst [ 35%] Building add_pot_generic.sh rst doc (from add_pot ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ add_pot\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/add_pot_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ add_pot\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/add_pot_generic.sh.rst [ 37%] Building pre_update_re.sh rst doc (from pre_update re) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pre_update\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/pre_update_re.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pre_update\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/pre_update_re.sh.rst [ 37%] Building post_update_generic.sh rst doc (from post_update ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post_update\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_update_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post_update\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_update_generic.sh.rst [ 37%] Building post_update_generic_single.sh rst doc (from post_update_single ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post_update_single\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_update_generic_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post_update_single\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_update_generic_single.sh.rst [ 37%] Building post_update_re_single.sh rst doc (from post_update_single re) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post_update_single\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_update_re_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post_update_single\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_update_re_single.sh.rst [ 37%] Building postupd_scale.sh rst doc (from postupd scale) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ scale --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_scale.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ scale --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_scale.sh.rst [ 37%] Building postupd_pressure.sh rst doc (from postupd pressure) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ pressure --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_pressure.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ pressure --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_pressure.sh.rst [ 37%] Building postupd_addlj.sh rst doc (from postupd lj) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ lj --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_addlj.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ lj --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_addlj.sh.rst [ 37%] Building postupd_splinesmooth.sh rst doc (from postupd splinesmooth) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ splinesmooth --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_splinesmooth.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ splinesmooth --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_splinesmooth.sh.rst [ 37%] Building postupd_smooth.sh rst doc (from postupd smooth) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ smooth --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_smooth.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ smooth --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_smooth.sh.rst [ 37%] Building postadd_shift.sh rst doc (from postupd shift) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ shift --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_shift.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ shift --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_shift.sh.rst [ 37%] Building postadd_dummy.sh rst doc (from postupd dummy) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ dummy --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_dummy.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ dummy --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_dummy.sh.rst [ 37%] Building postupd_extrapolate.sh rst doc (from postupd extrapolate) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ extrapolate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_extrapolate.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ extrapolate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_extrapolate.sh.rst [ 37%] Building postupd_kbibi_correction.sh rst doc (from postupd kbibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ kbibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_kbibi_correction.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ kbibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_kbibi_correction.sh.rst [ 38%] Building postupd_cibi_correction.sh rst doc (from postupd cibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ cibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_cibi_correction.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ cibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_cibi_correction.sh.rst [ 38%] Building postupd_ibi.sh rst doc (from postupd ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_ibi.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postupd\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postupd_ibi.sh.rst [ 40%] Building post_add.sh rst doc (from post add) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post\ add --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_add.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post\ add --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_add.sh.rst [ 40%] Building post_add_single.sh rst doc (from post add_single) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post\ add_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_add_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ post\ add_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/post_add_single.sh.rst [ 40%] Building postadd_copyback.sh rst doc (from postadd copyback) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ copyback --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_copyback.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ copyback --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_copyback.sh.rst [ 40%] Building postadd_compress.sh rst doc (from postadd compress) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ compress --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_compress.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ compress --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_compress.sh.rst [ 42%] Building postadd_convergence.sh rst doc (from postadd convergence) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ convergence --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_convergence.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ convergence --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_convergence.sh.rst [ 42%] Building postadd_acc_convergence.sh rst doc (from postadd acc_convergence) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ acc_convergence --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_acc_convergence.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ acc_convergence --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_acc_convergence.sh.rst [ 42%] Building postadd_overwrite.sh rst doc (from postadd overwrite) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ overwrite --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_overwrite.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ overwrite --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_overwrite.sh.rst [ 42%] Building postadd_plot.sh rst doc (from postadd plot) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ plot --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_plot.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ plot --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_plot.sh.rst [ 42%] Building postadd_average.sh rst doc (from postadd average) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ average --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_average.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ average --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_average.sh.rst [ 42%] Building postadd_smooth_at_cut_off.sh rst doc (from postadd smooth_at_cut_off) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ smooth_at_cut_off --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_smooth_at_cut_off.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ postadd\ smooth_at_cut_off --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/postadd_smooth_at_cut_off.sh.rst [ 42%] Building convergence_check_default.sh rst doc (from convergence_check default) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convergence_check\ default --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/convergence_check_default.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convergence_check\ default --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/convergence_check_default.sh.rst [ 42%] Building resample_target.sh rst doc (from resample target) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ resample\ target --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/resample_target.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ resample\ target --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/resample_target.sh.rst [ 44%] Building update_ibi.sh rst doc (from update ibi) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_ibi.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ ibi --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_ibi.sh.rst [ 44%] Building update_ibi_single.sh rst doc (from update ibi_single) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ ibi_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_ibi_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ ibi_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_ibi_single.sh.rst [ 44%] Building update_ibi_pot.pl rst doc (from update ibi_pot) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ ibi_pot --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_ibi_pot.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ ibi_pot --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_ibi_pot.pl.rst [ 44%] Building update_iie.sh rst doc (from update iie) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ iie --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_iie.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ iie --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_iie.sh.rst [ 44%] Building iie.py rst doc (from update iie_pot) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ iie_pot --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/iie.py.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ iie_pot --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/iie.py.rst [ 44%] Building calc_rdf_generic.sh rst doc (from rdf_incl_intra generic) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ rdf_incl_intra\ generic --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_rdf_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ rdf_incl_intra\ generic --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_rdf_generic.sh.rst [ 44%] Building update_imc.sh rst doc (from update imc) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ imc --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_imc.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ imc --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_imc.sh.rst [ 44%] Building update_imc_single.sh rst doc (from update imc_single) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ imc_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_imc_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ imc_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_imc_single.sh.rst [ 44%] Building optimizer_prepare_state.sh rst doc (from optimizer prepare_state) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ prepare_state --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_prepare_state.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ prepare_state --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_prepare_state.sh.rst [ 44%] Building optimizer_parameters_to_potential.sh rst doc (from optimizer parameters_to_potential) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ parameters_to_potential --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_parameters_to_potential.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ parameters_to_potential --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_parameters_to_potential.sh.rst [ 44%] Building optimizer_state_to_potentials.sh rst doc (from optimizer state_to_potentials) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ state_to_potentials --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_state_to_potentials.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ state_to_potentials --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_state_to_potentials.sh.rst [ 44%] Building optimizer_state_to_mapping.sh rst doc (from optimizer state_to_mapping) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ state_to_mapping --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_state_to_mapping.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer\ state_to_mapping --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_state_to_mapping.sh.rst [ 44%] Building update_optimizer.sh rst doc (from update optimizer) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_optimizer.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ optimizer --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_optimizer.sh.rst [ 44%] Building update_optimizer_single.sh rst doc (from update optimizer_single) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ optimizer_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_optimizer_single.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ optimizer_single --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_optimizer_single.sh.rst [ 44%] Building optimizer_target_rdf.sh rst doc (from optimizer_target rdf) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer_target\ rdf --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_target_rdf.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer_target\ rdf --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_target_rdf.sh.rst [ 44%] Building optimizer_target_density.sh rst doc (from optimizer_target density) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer_target\ density --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_target_density.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer_target\ density --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_target_density.sh.rst [ 44%] Building optimizer_target_pressure.sh rst doc (from optimizer_target pressure) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer_target\ pressure --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_target_pressure.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ optimizer_target\ pressure --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/optimizer_target_pressure.sh.rst [ 44%] Building simplex_downhill_processor.pl rst doc (from simplex precede_state) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ simplex\ precede_state --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/simplex_downhill_processor.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ simplex\ precede_state --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/simplex_downhill_processor.pl.rst [ 44%] Building cma_processor.py rst doc (from cma precede_state) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ cma\ precede_state --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/cma_processor.py.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ cma\ precede_state --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/cma_processor.py.rst [ 45%] Building update_re.sh rst doc (from update re) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_re.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ update\ re --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/update_re.sh.rst [ 45%] Building calc_target_rdf_generic.sh rst doc (from calc target_rdf) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ calc\ target_rdf --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_target_rdf_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ calc\ target_rdf --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_target_rdf_generic.sh.rst [ 45%] Building pressure_cor_simple.pl rst doc (from pressure_cor simple) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure_cor\ simple --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/pressure_cor_simple.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure_cor\ simple --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/pressure_cor_simple.pl.rst [ 45%] Building pressure_cor_wjk.pl rst doc (from pressure_cor wjk) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure_cor\ wjk --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/pressure_cor_wjk.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure_cor\ wjk --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/pressure_cor_wjk.pl.rst [ 45%] Building lj_126.pl rst doc (from compute_lj 12_6) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ compute_lj\ 12_6 --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/lj_126.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ compute_lj\ 12_6 --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/lj_126.pl.rst [ 45%] Building kbibi_ramp_correction.pl rst doc (from kbibi ramp_correction) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ kbibi\ ramp_correction --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/kbibi_ramp_correction.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ kbibi\ ramp_correction --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/kbibi_ramp_correction.pl.rst [ 45%] Building calc_kbint.sh rst doc (from calc kbint) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ calc\ kbint --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_kbint.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ calc\ kbint --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_kbint.sh.rst [ 45%] Building add_POT.pl rst doc (from table add) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ add --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/add_POT.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ add --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/add_POT.pl.rst [ 45%] Building table_integrate.pl rst doc (from table integrate) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ integrate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_integrate.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ integrate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_integrate.pl.rst [ 45%] Building table_extrapolate.pl rst doc (from table extrapolate) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ extrapolate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_extrapolate.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ extrapolate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_extrapolate.pl.rst [ 47%] Building merge_tables.pl rst doc (from table merge) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ merge --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/merge_tables.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ merge --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/merge_tables.pl.rst [ 47%] Building table_smooth.pl rst doc (from table smooth) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ smooth --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_smooth.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ smooth --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_smooth.pl.rst [ 47%] Building table_smooth_at_cut_off.py rst doc (from table smooth_at_cut_off) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ smooth_at_cut_off --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_smooth_at_cut_off.py.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ smooth_at_cut_off --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_smooth_at_cut_off.py.rst [ 47%] Building table_linearop.pl rst doc (from table linearop) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ linearop --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_linearop.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ linearop --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_linearop.pl.rst [ 47%] Building table_dummy.sh rst doc (from table dummy) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ dummy --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_dummy.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ dummy --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_dummy.sh.rst [ 47%] Building table_get_value.pl rst doc (from table get_value) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ get_value --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_get_value.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ get_value --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_get_value.pl.rst [ 47%] Building table_switch_border.pl rst doc (from table switch_border) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ switch_border --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_switch_border.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ switch_border --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_switch_border.pl.rst [ 47%] Building table_combine.pl rst doc (from table compare) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ compare --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_combine.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ compare --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_combine.pl.rst [ 47%] Building table_average.sh rst doc (from table average) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ average --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_average.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ average --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_average.sh.rst [ 49%] Building table_scale.pl rst doc (from table scale) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ scale --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_scale.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ scale --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_scale.pl.rst [ 50%] Building table_change_flag.sh rst doc (from table change_flag) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ change_flag --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_change_flag.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ change_flag --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_change_flag.sh.rst [ 50%] Building table_functional.sh rst doc (from table functional) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ functional --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_functional.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ table\ functional --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_functional.sh.rst [ 52%] Building potential_extrapolate.sh rst doc (from potential extrapolate) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ potential\ extrapolate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_extrapolate.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ potential\ extrapolate --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_extrapolate.sh.rst [ 52%] Building potential_shift.pl rst doc (from potential shift) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ potential\ shift --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_shift.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ potential\ shift --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_shift.pl.rst [ 52%] Building table_to_tab.pl rst doc (from convert_potential tab) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ tab --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_to_tab.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ tab --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_to_tab.pl.rst [ 54%] Building dist_adjust.pl rst doc (from dist adjust) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ dist\ adjust --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/dist_adjust.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ dist\ adjust --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/dist_adjust.pl.rst [ 54%] Building dist_boltzmann_invert.pl rst doc (from dist invert) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ dist\ invert --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/dist_boltzmann_invert.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ dist\ invert --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/dist_boltzmann_invert.pl.rst [ 54%] Building tables_jackknife.pl rst doc (from tables jackknife) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ tables\ jackknife --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/tables_jackknife.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ tables\ jackknife --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/tables_jackknife.pl.rst [ 54%] Building initialize_step_genericsim.sh rst doc (from initstep gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_genericsim.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ initstep\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/initialize_step_genericsim.sh.rst [ 54%] Building run_gromacs.sh rst doc (from run gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ run\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/run_gromacs.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ run\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/run_gromacs.sh.rst [ 54%] Building clean_generic.sh rst doc (from clean gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ clean\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/clean_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ clean\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/clean_generic.sh.rst [ 55%] Building calc_pressure_gromacs.sh rst doc (from pressure gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_pressure_gromacs.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_pressure_gromacs.sh.rst [ 55%] Building calc_pressure_lammps.sh rst doc (from pressure lammps) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure\ lammps --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_pressure_lammps.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ pressure\ lammps --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_pressure_lammps.sh.rst [ 57%] Building imc_stat_generic.sh rst doc (from imc_stat gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ imc_stat\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/imc_stat_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ imc_stat\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/imc_stat_generic.sh.rst [ 57%] Building calc_density_generic.sh rst doc (from density gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ density\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_density_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ density\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/calc_density_generic.sh.rst [ 57%] Building potential_to_gromacs.sh rst doc (from convert_potential gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_gromacs.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_gromacs.sh.rst [ 57%] Building potentials_to_generic.sh rst doc (from convert_potentials gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potentials\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potentials_to_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potentials\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potentials_to_generic.sh.rst [ 57%] Building table_to_xvg.pl rst doc (from convert_potential xvg) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ xvg --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_to_xvg.pl.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ xvg --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/table_to_xvg.pl.rst [ 57%] Building functions_gromacs.sh rst doc (from functions gromacs) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_gromacs.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ gromacs --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_gromacs.sh.rst [ 57%] Building run_genericsim.sh rst doc (from run espresso) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ run\ espresso --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/run_genericsim.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ run\ espresso --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/run_genericsim.sh.rst [ 57%] Building potential_to_generic.sh rst doc (from convert_potential espresso) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ espresso --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_generic.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ espresso --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_generic.sh.rst [ 57%] Building functions_genericsim.sh rst doc (from functions espresso) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ espresso --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_genericsim.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ espresso --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_genericsim.sh.rst [ 57%] Building potential_to_lammps.sh rst doc (from convert_potential lammps) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ lammps --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_lammps.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ lammps --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_lammps.sh.rst [ 57%] Building functions_dlpoly.sh rst doc (from functions dlpoly) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ dlpoly --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_dlpoly.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ functions\ dlpoly --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/functions_dlpoly.sh.rst [ 57%] Building potential_to_dlpoly.sh rst doc (from convert_potential dlpoly) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ dlpoly --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_dlpoly.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potential\ dlpoly --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potential_to_dlpoly.sh.rst [ 57%] Building potentials_to_dlpoly.sh rst doc (from convert_potentials dlpoly) -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potentials\ dlpoly --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potentials_to_dlpoly.sh.rst +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts && /usr/bin/cmake -E env VOTCASHARE="/build/reproducible-path/votca-2024/csg/share" PATH="/build/reproducible-path/votca-2024/csg/scripts:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" VOTCA_CSG_DEFAULTS="/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/xml/csg_defaults.xml" /build/reproducible-path/votca-2024/tools/scripts/votca_help2doc --name /build/reproducible-path/votca-2024/csg/scripts/csg_call\ convert_potentials\ dlpoly --format rst --out /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/sphinx/csg/scripts/potentials_to_dlpoly.sh.rst make[5]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [ 57%] Built target csg-scripts-rst make -f csg/share/xml/CMakeFiles/csg-xml-rst.dir/build.make csg/share/xml/CMakeFiles/csg-xml-rst.dir/depend @@ -26882,7 +26918,7 @@ make[2]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[1]: Leaving directory '/build/reproducible-path/votca-2024' dh_auto_build -Nvotca-data -Nvotca-tutorials - cd obj-x86_64-linux-gnu && make -j42 "INSTALL=install --strip-program=true" VERBOSE=1 + cd obj-x86_64-linux-gnu && make -j20 "INSTALL=install --strip-program=true" VERBOSE=1 make[1]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/votca-2024 -B/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/CMakeFiles /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu//CMakeFiles/progress.marks @@ -26892,170 +26928,170 @@ make -f tools/share/man/CMakeFiles/votca_tools_manpages.dir/build.make tools/share/man/CMakeFiles/votca_tools_manpages.dir/depend make -f csg/scripts/CMakeFiles/csg_call_manpage.dir/build.make csg/scripts/CMakeFiles/csg_call_manpage.dir/depend make -f csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build.make csg/scripts/CMakeFiles/csg_inverse_manpage.dir/depend -make -f csg/share/man/CMakeFiles/votca_csg_manpages.dir/build.make csg/share/man/CMakeFiles/votca_csg_manpages.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools/CMakeFiles/gitversion.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/share/man/CMakeFiles/votca_tools_manpages.dir/DependInfo.cmake "--color=" +make -f csg/share/man/CMakeFiles/votca_csg_manpages.dir/build.make csg/share/man/CMakeFiles/votca_csg_manpages.dir/depend make -f xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/depend make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_call_manpage.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_inverse_manpage.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/share/man/CMakeFiles/votca_tools_manpages.dir/DependInfo.cmake "--color=" make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_call_manpage.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/man /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/man/CMakeFiles/votca_csg_manpages.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_inverse_manpage.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/DependInfo.cmake "--color=" -make -f csg/scripts/CMakeFiles/csg_call_build.dir/build.make csg/scripts/CMakeFiles/csg_call_build.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/DependInfo.cmake "--color=" -make -f csg/scripts/CMakeFiles/csg_inverse_build.dir/build.make csg/scripts/CMakeFiles/csg_inverse_build.dir/depend -make -f xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_build.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/DependInfo.cmake "--color=" +make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/depend +make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/depend +make -f csg/scripts/CMakeFiles/csg_call_build.dir/build.make csg/scripts/CMakeFiles/csg_call_build.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_call_build.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/depend -make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/depend +make -f csg/scripts/CMakeFiles/csg_inverse_build.dir/build.make csg/scripts/CMakeFiles/csg_inverse_build.dir/depend +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/scripts/CMakeFiles/csg_call_manpage.dir/build.make csg/scripts/CMakeFiles/csg_call_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/scripts/CMakeFiles/csg_inverse_build.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_basisset_build.dir/DependInfo.cmake "--color=" -make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/DependInfo.cmake "--color=" -make -f xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build.make xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/DependInfo.cmake "--color=" -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/scripts/CMakeFiles/csg_call_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/libtools/CMakeFiles/gitversion.dir/build.make tools/src/libtools/CMakeFiles/gitversion.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools && /usr/bin/cmake -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -DGIT_EXECUTABLE="" -P /build/reproducible-path/votca-2024/CMakeModules/gitversion.cmake make -f csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build.make csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/libtools/CMakeFiles/gitversion.dir/build.make tools/src/libtools/CMakeFiles/gitversion.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/share/man/CMakeFiles/votca_tools_manpages.dir/build.make tools/share/man/CMakeFiles/votca_tools_manpages.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/scripts/CMakeFiles/csg_call_manpage.dir/build.make csg/scripts/CMakeFiles/csg_call_manpage.dir/build +make -f csg/share/man/CMakeFiles/votca_csg_manpages.dir/build.make csg/share/man/CMakeFiles/votca_csg_manpages.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/share/man/CMakeFiles/votca_tools_manpages.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/share/man/CMakeFiles/votca_csg_manpages.dir/build.make csg/share/man/CMakeFiles/votca_csg_manpages.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/scripts/CMakeFiles/csg_inverse_manpage.dir/build'. +make[3]: Nothing to be done for 'csg/share/man/CMakeFiles/votca_csg_manpages.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build +make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools && /usr/bin/cmake -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -DGIT_EXECUTABLE="" -P /build/reproducible-path/votca-2024/CMakeModules/gitversion.cmake -make[3]: Nothing to be done for 'tools/share/man/CMakeFiles/votca_tools_manpages.dir/build'. +make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/scripts/CMakeFiles/csg_call_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/share/man/CMakeFiles/votca_csg_manpages.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build +make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_basisset_manpage.dir/build'. +make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f csg/scripts/CMakeFiles/csg_call_build.dir/build.make csg/scripts/CMakeFiles/csg_call_build.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_update_mapfile_manpage.dir/build'. +make[3]: Nothing to be done for 'csg/scripts/CMakeFiles/csg_call_build.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 0%] Built target csg_call_manpage make -f csg/scripts/CMakeFiles/csg_inverse_build.dir/build.make csg/scripts/CMakeFiles/csg_inverse_build.dir/build +[ 0%] Built target votca_tools_manpages +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/scripts/CMakeFiles/csg_inverse_build.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 0%] Built target csg_inverse_manpage +[ 0%] Built target votca_csg_manpages +make -f xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_build.dir/depend +make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/depend +[ 1%] Built target xtp_update_mapfile_manpage make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_modify_jobfile_manpage.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_basisset_build.dir/DependInfo.cmake "--color=" +make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/DependInfo.cmake "--color=" +make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/DependInfo.cmake "--color=" +make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/depend +[ 1%] Built target xtp_basisset_manpage +make -f xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build.make xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/DependInfo.cmake "--color=" +[ 1%] Built target xtp_modify_jobfile_manpage +[ 1%] Built target xtp_qmmm2qm_manpage +[ 1%] Built target xtp_autogen_mapping_manpage make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build.make xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build +[ 1%] Built target csg_inverse_build +[ 1%] Built target csg_call_build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_autogen_mapping_manpage.dir/build'. +make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_qmmm2qm_manpage.dir/build'. -make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build +make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/scripts/CMakeFiles/csg_call_build.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build.make xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/scripts/CMakeFiles/csg_inverse_build.dir/build'. +make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build.make xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_basisset_build.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_update_mapfile_build.dir/build'. +make -f xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build.make xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build.make xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_modify_jobfile_build.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_autogen_mapping_build.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/scripts/CMakeFiles/xtp_qmmm2qm_build.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build.make xtp/share/benchmark/CMakeFiles/xtp_benchmark_build.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 0%] Built target xtp_modify_jobfile_manpage -[ 0%] Built target votca_csg_manpages -[ 0%] Built target csg_call_manpage -[ 0%] Generating xtp_benchmark.install -[ 0%] Built target votca_tools_manpages -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark && /usr/bin/cmake -DINPUT="xtp_benchmark.in2" -DOUTPUT="xtp_benchmark" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 0%] Built target xtp_basisset_manpage -[ 1%] Built target xtp_autogen_mapping_manpage -[ 1%] Built target csg_call_build -[ 1%] Built target xtp_autogen_mapping_build [ 1%] Built target xtp_basisset_build -[ 1%] Built target xtp_qmmm2qm_build +[ 1%] Built target xtp_update_mapfile_build [ 1%] Built target xtp_modify_jobfile_build -[ 1%] Built target xtp_benchmark_build -[ 1%] Built target csg_inverse_build +[ 1%] Generating xtp_benchmark.install +[ 1%] Built target xtp_autogen_mapping_build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/share/benchmark && /usr/bin/cmake -DINPUT="xtp_benchmark.in2" -DOUTPUT="xtp_benchmark" -DGIT_EXECUTABLE="" -DTOP_SOURCE_DIR="/build/reproducible-path/votca-2024" -P /build/reproducible-path/votca-2024/CMakeModules/gitscript.cmake [ 1%] Built target gitversion -[ 1%] Built target xtp_qmmm2qm_manpage -[ 1%] Built target xtp_update_mapfile_build -[ 1%] Built target xtp_update_mapfile_manpage -[ 1%] Built target csg_inverse_manpage +[ 1%] Built target xtp_qmmm2qm_build make -f tools/src/libtools/CMakeFiles/votca_tools.dir/build.make tools/src/libtools/CMakeFiles/votca_tools.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/libtools/CMakeFiles/votca_tools.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/libtools/CMakeFiles/votca_tools.dir/build.make tools/src/libtools/CMakeFiles/votca_tools.dir/build +[ 1%] Built target xtp_benchmark_build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'tools/src/libtools/CMakeFiles/votca_tools.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' @@ -27065,1414 +27101,1468 @@ make -f tools/src/tests/CMakeFiles/unit_test_calculator.dir/build.make tools/src/tests/CMakeFiles/unit_test_calculator.dir/depend make -f tools/src/tests/CMakeFiles/unit_test_constants.dir/build.make tools/src/tests/CMakeFiles/unit_test_constants.dir/depend make -f tools/src/tests/CMakeFiles/unit_test_correlate.dir/build.make tools/src/tests/CMakeFiles/unit_test_correlate.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build.make tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_calculator.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build.make tools/src/tests/CMakeFiles/unit_test_datacollection.dir/depend +make -f tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build.make tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_correlate.dir/DependInfo.cmake "--color=" cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_constants.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_correlate.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_edge_base.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build.make tools/src/tests/CMakeFiles/unit_test_datacollection.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build.make tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_elements.dir/build.make tools/src/tests/CMakeFiles/unit_test_elements.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools/CMakeFiles/votca_property.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_edge_base.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_datacollection.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build.make tools/src/tests/CMakeFiles/unit_test_filesystem.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build.make tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/depend +make -f tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build.make tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_edge_base.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_elements.dir/build.make tools/src/tests/CMakeFiles/unit_test_elements.dir/depend +make -f tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build.make tools/src/tests/CMakeFiles/unit_test_filesystem.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_base.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_elements.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build.make tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/depend +Dependencies file "tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/test_cubicspline.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_filesystem.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools/CMakeFiles/votca_property.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/depend +Dependencies file "tools/src/tests/CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_calculator.dir/compiler_depend.internal". +Dependencies file 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "tools/src/tests/CMakeFiles/unit_test_correlate.dir/test_correlate.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_correlate.dir/compiler_depend.internal". +make -f tools/src/tools/CMakeFiles/votca_property.dir/build.make tools/src/tools/CMakeFiles/votca_property.dir/build +Dependencies file "tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/test_crosscorrelate.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/compiler_depend.internal". +make -f tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_datacollection.dir/compiler_depend.internal". +Dependencies file "tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/test_edgecontainer.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/depend +make -f tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/depend +Dependencies file "tools/src/tests/CMakeFiles/unit_test_filesystem.dir/test_filesystem.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_filesystem.dir/compiler_depend.internal". +make -f tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/depend +make -f tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphnode.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_name.dir/build.make tools/src/tests/CMakeFiles/unit_test_name.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build.make tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_identity.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build.make tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linalg.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_property.dir/build.make tools/src/tests/CMakeFiles/unit_test_property.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_name.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests 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/usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_property.dir/DependInfo.cmake "--color=" -make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests 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tools/src/tests/CMakeFiles/unit_test_random.dir/build.make tools/src/tests/CMakeFiles/unit_test_random.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests 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tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build.make tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/depend -make -f tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build.make tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/depend -Dependencies file "tools/src/tests/CMakeFiles/unit_test_calculator.dir/test_calculator.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_calculator.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_constants.dir/test_constants.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_constants.dir/compiler_depend.internal". -Dependencies file 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_edge_base.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphnode.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/test_histogramnew.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_identity.dir/test_identity.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_identity.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linalg.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/test_optionshandler.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_reducededge.dir/test_reducededge.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducededge.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_table.dir/test_table.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_table.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/test_reducedgraph.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/test_tokenizer.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_thread.dir/test_thread.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_thread.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/test_structureparameters.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_random.dir/test_random.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_random.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_linspline.dir/test_linspline.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linspline.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_property.dir/test_property.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_property.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/test_eigenio_matrixmarket.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/test_akimaspline.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/compiler_depend.internal". -Dependencies file "tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/test_NDimVector.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/compiler_depend.internal". -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tools/CMakeFiles/votca_property.dir/build'. +Consolidate compiler generated dependencies of target unit_test_edgecontainer make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/test_unitconverter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/compiler_depend.internal". -[ 7%] Built target votca_property -make -f tools/src/tools/CMakeFiles/votca_property_manpage.dir/build.make tools/src/tools/CMakeFiles/votca_property_manpage.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tools/CMakeFiles/votca_property_manpage.dir/build.make tools/src/tools/CMakeFiles/votca_property_manpage.dir/build +make -f tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build.make tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build +Dependencies file "tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/test_graphvisitor.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/compiler_depend.internal". +Dependencies file "tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/test_graph_df_visitor.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/compiler_depend.internal". +Dependencies file "tools/src/tests/CMakeFiles/unit_test_graphnode.dir/test_graphnode.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphnode.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_graph_base make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tools/CMakeFiles/votca_property_manpage.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 7%] Built target votca_property_manpage make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/libcsg/CMakeFiles/votca_csg.dir/build.make csg/src/libcsg/CMakeFiles/votca_csg.dir/build -Consolidate compiler generated dependencies of target unit_test_name -Consolidate compiler generated dependencies of target unit_test_floatingpointcomparison -Consolidate compiler generated dependencies of target unit_test_akimaspline -Consolidate compiler generated dependencies of target unit_test_linalg -Consolidate compiler generated dependencies of target unit_test_filesystem -Consolidate compiler generated dependencies of target unit_test_unitconverter -Consolidate compiler generated dependencies of target unit_test_constants -Consolidate compiler generated dependencies of target unit_test_reducedgraph -Consolidate compiler generated dependencies of target unit_test_datacollection -Consolidate compiler generated dependencies of target unit_test_identity -Consolidate compiler generated dependencies of target unit_test_elements +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/libcsg /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/libcsg/CMakeFiles/votca_csg.dir/DependInfo.cmake "--color=" Consolidate compiler generated dependencies of target unit_test_cubicspline -Consolidate compiler generated dependencies of target unit_test_thread -Consolidate compiler generated dependencies of target unit_test_edge_base -Consolidate compiler generated dependencies of target unit_test_graphdistvisitor -Consolidate compiler generated dependencies of target unit_test_correlate -Consolidate compiler generated dependencies of target unit_test_edgecontainer -Consolidate compiler generated dependencies of target unit_test_random -Consolidate compiler generated dependencies of target unit_test_tokenizer -Consolidate compiler generated dependencies of target unit_test_crosscorrelate Consolidate compiler generated dependencies of target unit_test_graph_bf_visitor +make -f tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build Consolidate compiler generated dependencies of target unit_test_calculator -Consolidate compiler generated dependencies of target unit_test_graph_base -Consolidate compiler generated dependencies of target unit_test_structureparameters -Consolidate compiler generated dependencies of target unit_test_graphalgorithm -Consolidate compiler generated dependencies of target unit_test_graph_df_visitor -Consolidate compiler generated dependencies of target unit_test_table -Consolidate compiler generated dependencies of target unit_test_eigenio_matrixmarket -Consolidate compiler generated dependencies of target unit_test_linspline -Consolidate compiler generated dependencies of target unit_test_graphvisitor -Consolidate compiler generated dependencies of target unit_test_NDimVector -Consolidate compiler generated dependencies of target unit_test_reducededge -Consolidate compiler generated dependencies of target unit_test_graphnode -Consolidate compiler generated dependencies of target unit_test_optionshandler -Consolidate compiler generated dependencies of target unit_test_property -Consolidate compiler generated dependencies of target unit_test_histogramnew -Consolidate compiler generated dependencies of target unit_test_objectfactory -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_linalg.dir/build.make tools/src/tests/CMakeFiles/unit_test_linalg.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory 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tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build +Consolidate compiler generated dependencies of target unit_test_graphvisitor make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/test_graphdistvisitor.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_datacollection +Consolidate compiler generated dependencies of target unit_test_elements +[ 7%] Built target votca_property +[ 9%] Built target unit_test_floatingpointcomparison +make -f tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_constants +make -f tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build.make tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build +Consolidate compiler generated dependencies of target unit_test_crosscorrelate +Consolidate compiler generated dependencies of target unit_test_filesystem +Consolidate compiler generated dependencies of target unit_test_correlate make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build.make tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_calculator.dir/build.make tools/src/tests/CMakeFiles/unit_test_calculator.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_calculator.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_constants.dir/build.make tools/src/tests/CMakeFiles/unit_test_constants.dir/build +Consolidate compiler generated dependencies of target unit_test_graphalgorithm +Consolidate compiler generated dependencies of target unit_test_graphnode make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_correlate.dir/build.make tools/src/tests/CMakeFiles/unit_test_correlate.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_elements.dir/build.make tools/src/tests/CMakeFiles/unit_test_elements.dir/build +Consolidate compiler generated dependencies of target unit_test_graph_df_visitor +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_graphdistvisitor make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_constants.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build.make tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f tools/src/tests/CMakeFiles/unit_test_correlate.dir/build.make tools/src/tests/CMakeFiles/unit_test_correlate.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build.make tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build.make tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_elements.dir/build.make tools/src/tests/CMakeFiles/unit_test_elements.dir/build make -f tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build.make tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build.make tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build make -f tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_correlate.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build make -f tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build +make -f csg/src/libcsg/CMakeFiles/votca_csg.dir/build.make csg/src/libcsg/CMakeFiles/votca_csg.dir/build make -f tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build make -f tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build.make tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build.make tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_identity.dir/build.make tools/src/tests/CMakeFiles/unit_test_identity.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_name.dir/build.make tools/src/tests/CMakeFiles/unit_test_name.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build.make tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build.make tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_property.dir/build.make tools/src/tests/CMakeFiles/unit_test_property.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build.make tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_thread.dir/build.make tools/src/tests/CMakeFiles/unit_test_thread.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build.make tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_random.dir/build.make tools/src/tests/CMakeFiles/unit_test_random.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build.make tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build.make tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build -make -f tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build.make tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/libcsg/CMakeFiles/votca_csg.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_elements.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 15%] Built target votca_csg -make -f xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build.make xtp/src/libxtp/CMakeFiles/votca_xtp.dir/depend -make -f csg/src/tools/CMakeFiles/csg_reupdate.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate.dir/depend -make -f csg/src/tools/CMakeFiles/csg_map.dir/build.make csg/src/tools/CMakeFiles/csg_map.dir/depend -make -f csg/src/tools/CMakeFiles/csg_dump.dir/build.make csg/src/tools/CMakeFiles/csg_dump.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_floatingpointcomparison.dir/build'. +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_name.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_datacollection.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_property.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 10%] Built target unit_test_edgecontainer +[ 10%] Built target unit_test_graph_base +[ 10%] Built target unit_test_calculator +[ 11%] Built target unit_test_edge_base +[ 11%] Built target unit_test_cubicspline +[ 12%] Built target unit_test_elements +[ 12%] Built target unit_test_datacollection +[ 12%] Built target unit_test_crosscorrelate +[ 12%] Built target unit_test_constants +[ 14%] Built target unit_test_correlate +[ 14%] Built target unit_test_graph_bf_visitor +[ 15%] Built target unit_test_graphalgorithm +[ 15%] Built target unit_test_filesystem +make -f tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build.make tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/DependInfo.cmake "--color=" +[ 15%] Built target unit_test_graph_df_visitor +make -f tools/src/tests/CMakeFiles/unit_test_identity.dir/build.make tools/src/tests/CMakeFiles/unit_test_identity.dir/depend +make -f tools/src/tests/CMakeFiles/unit_test_linalg.dir/build.make tools/src/tests/CMakeFiles/unit_test_linalg.dir/depend +make -f tools/src/tests/CMakeFiles/unit_test_name.dir/build.make tools/src/tests/CMakeFiles/unit_test_name.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_identity.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphnode.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linalg.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build.make tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graph_bf_visitor.dir/build'. +make -f tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build.make tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_name.dir/DependInfo.cmake "--color=" +[ 15%] Built target unit_test_graphdistvisitor +[ 15%] Built target unit_test_graphnode +[ 15%] Built target unit_test_graphvisitor +make -f tools/src/tests/CMakeFiles/unit_test_property.dir/build.make tools/src/tests/CMakeFiles/unit_test_property.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/depend +make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_property.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducededge.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build.make tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/DependInfo.cmake "--color=" +Dependencies file "tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/test_histogramnew.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/compiler_depend.internal". +make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/depend +make -f tools/src/tests/CMakeFiles/unit_test_thread.dir/build.make tools/src/tests/CMakeFiles/unit_test_thread.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build'. -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_identity.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphvisitor.dir/build'. -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_random.dir/build'. -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graph_df_visitor.dir/build'. -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphdistvisitor.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_table.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build.make tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/depend +Dependencies file "tools/src/tests/CMakeFiles/unit_test_identity.dir/test_identity.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_identity.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_thread.dir/DependInfo.cmake "--color=" +Dependencies file "tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/test_objectfactory.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/compiler_depend.internal". +Dependencies file "tools/src/tests/CMakeFiles/unit_test_linalg.dir/test_linalg.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linalg.dir/compiler_depend.internal". +make -f tools/src/tests/CMakeFiles/unit_test_random.dir/build.make tools/src/tests/CMakeFiles/unit_test_random.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/libcsg/CMakeFiles/votca_csg.dir/build'. +make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/depend make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_random.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linspline.dir/DependInfo.cmake "--color=" +Dependencies file "tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/test_reducedgraph.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/compiler_depend.internal". +Dependencies file "tools/src/tests/CMakeFiles/unit_test_name.dir/test_name.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_name.dir/compiler_depend.internal". +Dependencies file "tools/src/tests/CMakeFiles/unit_test_table.dir/test_table.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_table.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_identity +Consolidate compiler generated dependencies of target unit_test_histogramnew +make -f tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build.make tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build.make tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/depend make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build'. +Dependencies file "tools/src/tests/CMakeFiles/unit_test_reducededge.dir/test_reducededge.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_reducededge.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/DependInfo.cmake "--color=" +make -f tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build.make tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build +Dependencies file "tools/src/tests/CMakeFiles/unit_test_property.dir/test_property.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_property.dir/compiler_depend.internal". +make -f tools/src/tests/CMakeFiles/unit_test_identity.dir/build.make tools/src/tests/CMakeFiles/unit_test_identity.dir/build +make -f tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build.make tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/depend +Dependencies file "tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/test_structureparameters.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/compiler_depend.internal". +Dependencies file "tools/src/tests/CMakeFiles/unit_test_thread.dir/test_thread.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_thread.dir/compiler_depend.internal". +Dependencies file "tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/test_optionshandler.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_objectfactory +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build.make tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build +Consolidate compiler generated dependencies of target unit_test_name +Consolidate compiler generated dependencies of target unit_test_reducedgraph +Dependencies file "tools/src/tests/CMakeFiles/unit_test_linspline.dir/test_linspline.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_linspline.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_linalg make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_thread.dir/build'. +make -f tools/src/tests/CMakeFiles/unit_test_name.dir/build.make tools/src/tests/CMakeFiles/unit_test_name.dir/build +Consolidate compiler generated dependencies of target unit_test_table +Dependencies file "tools/src/tests/CMakeFiles/unit_test_random.dir/test_random.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_random.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_objectfactory.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_thread +[ 23%] Built target votca_csg +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/test_tokenizer.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/compiler_depend.internal". +make -f xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build.make xtp/src/libxtp/CMakeFiles/votca_xtp.dir/depend make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graph_base.dir/build'. -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_cubicspline.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_histogramnew.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_name.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_graphalgorithm.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_identity.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_structureparameters +make -f tools/src/tests/CMakeFiles/unit_test_linalg.dir/build.make tools/src/tests/CMakeFiles/unit_test_linalg.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_reducedgraph.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build'. +make -f tools/src/tests/CMakeFiles/unit_test_table.dir/build.make tools/src/tests/CMakeFiles/unit_test_table.dir/build +Dependencies file "tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/test_akimaspline.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/compiler_depend.internal". +make -f tools/src/tests/CMakeFiles/unit_test_thread.dir/build.make tools/src/tests/CMakeFiles/unit_test_thread.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build.make tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build +[ 24%] Built target unit_test_objectfactory +Dependencies file "tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/test_unitconverter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/compiler_depend.internal". +Dependencies file "tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/test_eigenio_matrixmarket.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_thread.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_linspline +Dependencies file "tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/test_NDimVector.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_table.dir/build'. -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_structureparameters.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_correlate.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_constants.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_linalg.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 24%] Built target unit_test_identity +make -f tools/src/tests/CMakeFiles/unit_test_linspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_linspline.dir/build +Consolidate compiler generated dependencies of target unit_test_random +Consolidate compiler generated dependencies of target unit_test_reducededge +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tools/CMakeFiles/votca_property_manpage.dir/build.make tools/src/tools/CMakeFiles/votca_property_manpage.dir/depend +Consolidate compiler generated dependencies of target unit_test_property +Consolidate compiler generated dependencies of target unit_test_optionshandler +Consolidate compiler generated dependencies of target unit_test_tokenizer +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_unitconverter +Consolidate compiler generated dependencies of target unit_test_NDimVector +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 25%] Built target unit_test_histogramnew +[ 25%] Built target unit_test_reducedgraph +make -f tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build.make tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build +make -f tools/src/tests/CMakeFiles/unit_test_property.dir/build.make tools/src/tests/CMakeFiles/unit_test_property.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_reupdate.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_linspline.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 27%] Built target unit_test_name +make -f tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build.make tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build +[ 28%] Built target unit_test_linalg +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools/CMakeFiles/votca_property_manpage.dir/DependInfo.cmake "--color=" +[ 28%] Built target unit_test_structureparameters +make -f tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build.make tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build +make -f tools/src/tests/CMakeFiles/unit_test_random.dir/build.make tools/src/tests/CMakeFiles/unit_test_random.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_optionshandler.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 28%] Built target unit_test_thread +[ 29%] Built target unit_test_table make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_crosscorrelate.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_property.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_calculator.dir/build'. +Consolidate compiler generated dependencies of target unit_test_eigenio_matrixmarket +make -f tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build.make tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build +Consolidate compiler generated dependencies of target unit_test_akimaspline make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_filesystem.dir/build'. +make -f tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build.make tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build.make tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_linalg.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_reducededge.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build.make tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_tokenizer.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_unitconverter.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_edge_base.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_random.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f tools/src/tools/CMakeFiles/votca_property_manpage.dir/build.make tools/src/tools/CMakeFiles/votca_property_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_map.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_edgecontainer.dir/build'. -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_elements.dir/build'. +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_akimaspline.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_eigenio_matrixmarket.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_linspline.dir/build'. +make[3]: Nothing to be done for 'tools/src/tools/CMakeFiles/votca_property_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dump.dir/DependInfo.cmake "--color=" -[ 16%] Built target unit_test_linalg -[ 16%] Built target unit_test_calculator -[ 16%] Built target unit_test_constants -[ 18%] Built target unit_test_correlate -[ 18%] Built target unit_test_crosscorrelate -[ 19%] Built target unit_test_cubicspline -[ 19%] Built target unit_test_datacollection +make[3]: Nothing to be done for 'tools/src/tests/CMakeFiles/unit_test_NDimVector.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 20%] Built target unit_test_edgecontainer -[ 20%] Built target unit_test_edge_base +[ 29%] Built target unit_test_optionshandler +[ 29%] Built target unit_test_linspline +[ 29%] Built target unit_test_property +[ 29%] Built target unit_test_tokenizer +[ 29%] Built target unit_test_reducededge +[ 29%] Built target unit_test_random +make -f csg/src/tools/CMakeFiles/csg_reupdate.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate.dir/depend +make -f csg/src/tools/CMakeFiles/csg_map.dir/build.make csg/src/tools/CMakeFiles/csg_map.dir/depend +[ 29%] Built target unit_test_NDimVector +make -f csg/src/tools/CMakeFiles/csg_dump.dir/build.make csg/src/tools/CMakeFiles/csg_dump.dir/depend make -f csg/src/tools/CMakeFiles/csg_property.dir/build.make csg/src/tools/CMakeFiles/csg_property.dir/depend -[ 22%] Built target unit_test_elements -make -f csg/src/tools/CMakeFiles/csg_reupdate.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate.dir/build +[ 29%] Built target votca_property_manpage +[ 29%] Built target unit_test_unitconverter make -f csg/src/tools/CMakeFiles/csg_resample.dir/build.make csg/src/tools/CMakeFiles/csg_resample.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_map.dir/DependInfo.cmake "--color=" make -f csg/src/tools/CMakeFiles/csg_stat.dir/build.make csg/src/tools/CMakeFiles/csg_stat.dir/depend -[ 22%] Built target unit_test_graph_base -[ 24%] Built target unit_test_floatingpointcomparison -[ 24%] Built target unit_test_graphalgorithm -[ 24%] Built target unit_test_filesystem -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 24%] Built target unit_test_graph_bf_visitor -[ 24%] Built target unit_test_graph_df_visitor -[ 24%] Built target unit_test_graphdistvisitor -[ 25%] Built target unit_test_histogramnew -[ 27%] Built target unit_test_name -[ 27%] Built target unit_test_graphnode -[ 27%] Built target unit_test_optionshandler -make -f csg/src/tools/CMakeFiles/csg_map.dir/build.make csg/src/tools/CMakeFiles/csg_map.dir/build -[ 27%] Built target unit_test_graphvisitor -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f csg/src/tools/CMakeFiles/csg_fmatch.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch.dir/depend -make -f csg/src/tools/CMakeFiles/csg_dump.dir/build.make csg/src/tools/CMakeFiles/csg_dump.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_resample.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dump.dir/DependInfo.cmake "--color=" +[ 29%] Built target unit_test_eigenio_matrixmarket make -f csg/src/tools/CMakeFiles/csg_gmxtopol.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol.dir/depend make -f csg/src/tools/CMakeFiles/csg_dlptopol.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol.dir/depend -make -f csg/src/tools/CMakeFiles/csg_density.dir/build.make csg/src/tools/CMakeFiles/csg_density.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_resample.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_reupdate.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_imc_solve.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_property.dir/DependInfo.cmake "--color=" -make -f csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/depend -make -f csg/src/csgapps/CMakeFiles/fluctuations.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations.dir/depend -make -f csg/src/csgapps/CMakeFiles/orientcorr.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr.dir/depend -make -f csg/src/csgapps/CMakeFiles/part_dist.dir/build.make csg/src/csgapps/CMakeFiles/part_dist.dir/depend -make -f csg/src/csgapps/CMakeFiles/partial_rdf.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf.dir/depend -make -f csg/src/csgapps/CMakeFiles/radii.dir/build.make csg/src/csgapps/CMakeFiles/radii.dir/depend -make -f csg/src/csgapps/CMakeFiles/sphericalorder.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder.dir/depend -make -f csg/src/csgapps/CMakeFiles/traj_force.dir/build.make csg/src/csgapps/CMakeFiles/traj_force.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_reupdate.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_bead.dir/build.make csg/src/tests/CMakeFiles/unit_test_bead.dir/depend +[ 29%] Built target unit_test_akimaspline make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_stat.dir/DependInfo.cmake "--color=" -make -f csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_fmatch.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_gmxtopol.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_fmatch.dir/DependInfo.cmake "--color=" -make -f csg/src/tests/CMakeFiles/unit_test_basebead.dir/build.make csg/src/tests/CMakeFiles/unit_test_basebead.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_imc_solve.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_stat.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_density.dir/build.make csg/src/tools/CMakeFiles/csg_density.dir/depend +make -f csg/src/tools/CMakeFiles/csg_imc_solve.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve.dir/depend +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bead.dir/DependInfo.cmake "--color=" -make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dlptopol.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_map.dir/build.make csg/src/tools/CMakeFiles/csg_map.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_dump.dir/build.make csg/src/tools/CMakeFiles/csg_dump.dir/build +make -f csg/src/tools/CMakeFiles/csg_fmatch.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_density.dir/DependInfo.cmake "--color=" +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dlptopol.dir/DependInfo.cmake "--color=" -make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_imc_solve.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_resample.dir/build.make csg/src/tools/CMakeFiles/csg_resample.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_property.dir/build.make csg/src/tools/CMakeFiles/csg_property.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/DependInfo.cmake "--color=" -make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/depend +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_dump.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_basebead.dir/DependInfo.cmake "--color=" -make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/depend +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_map.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/part_dist.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_fmatch.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_reupdate.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate.dir/build +make -f csg/src/tools/CMakeFiles/csg_stat.dir/build.make csg/src/tools/CMakeFiles/csg_stat.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_resample.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_gmxtopol.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_dlptopol.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol.dir/build +make -f csg/src/tools/CMakeFiles/csg_imc_solve.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_density.dir/build.make csg/src/tools/CMakeFiles/csg_density.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/orientcorr.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_reupdate.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/fluctuations.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_gmxtopol.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_imc_solve.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_stat.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_map.dir/build'. -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_dump.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_dlptopol.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_density.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_property.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 31%] Built target csg_map +[ 31%] Built target csg_fmatch +[ 31%] Built target csg_dump +[ 32%] Built target csg_resample +[ 32%] Built target csg_reupdate make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/libxtp /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp/CMakeFiles/votca_xtp.dir/DependInfo.cmake "--color=" +[ 32%] Built target csg_property +make -f csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/depend +[ 33%] Built target csg_gmxtopol +[ 33%] Built target csg_stat +make -f csg/src/csgapps/CMakeFiles/fluctuations.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations.dir/depend +make -f csg/src/csgapps/CMakeFiles/orientcorr.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr.dir/depend +make -f csg/src/csgapps/CMakeFiles/part_dist.dir/build.make csg/src/csgapps/CMakeFiles/part_dist.dir/depend +[ 33%] Built target csg_imc_solve +[ 35%] Built target csg_dlptopol +make -f csg/src/csgapps/CMakeFiles/partial_rdf.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/fluctuations.dir/DependInfo.cmake "--color=" +make -f csg/src/csgapps/CMakeFiles/radii.dir/build.make csg/src/csgapps/CMakeFiles/radii.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/orientcorr.dir/DependInfo.cmake "--color=" +make -f csg/src/csgapps/CMakeFiles/sphericalorder.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder.dir/depend +[ 35%] Built target csg_density make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/sphericalorder.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/part_dist.dir/DependInfo.cmake "--color=" +make -f csg/src/csgapps/CMakeFiles/traj_force.dir/build.make csg/src/csgapps/CMakeFiles/traj_force.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/radii.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_bead.dir/build.make csg/src/tests/CMakeFiles/unit_test_bead.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/traj_force.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/sphericalorder.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/partial_rdf.dir/DependInfo.cmake "--color=" -Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/compiler_depend.internal". -Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/test_beadstructure_base.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/compiler_depend.internal". -Dependencies file "csg/src/tests/CMakeFiles/unit_test_bead.dir/test_bead.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bead.dir/compiler_depend.internal". -Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/test_beadtriple.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/compiler_depend.internal". -Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/compiler_depend.internal". -Dependencies file "csg/src/tests/CMakeFiles/unit_test_basebead.dir/test_basebead.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_basebead.dir/compiler_depend.internal". -Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/libxtp /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/libxtp/CMakeFiles/votca_xtp.dir/DependInfo.cmake "--color=" -[ 28%] Built target unit_test_thread -[ 28%] Built target unit_test_akimaspline -[ 28%] Built target unit_test_unitconverter -[ 28%] Built target unit_test_reducedgraph -[ 28%] Built target unit_test_random -[ 28%] Built target unit_test_property -[ 28%] Built target csg_reupdate -[ 31%] Built target unit_test_objectfactory -[ 28%] Built target unit_test_reducededge -[ 28%] Built target unit_test_identity -[ 31%] Built target csg_map -[ 28%] Built target unit_test_tokenizer -[ 28%] Built target unit_test_linspline -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 28%] Built target csg_dump -[ 28%] Built target unit_test_structureparameters -[ 28%] Built target unit_test_NDimVector -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_gmxtopol.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 31%] Built target unit_test_table -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bead.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_basebead.dir/build.make csg/src/tests/CMakeFiles/unit_test_basebead.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_basebead.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/traj_force.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/depend make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 28%] Built target unit_test_eigenio_matrixmarket make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csgapps/CMakeFiles/fluctuations.dir/build.make 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+make -f csg/src/csgapps/CMakeFiles/part_dist.dir/build.make csg/src/csgapps/CMakeFiles/part_dist.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_stat.dir/build.make csg/src/tools/CMakeFiles/csg_stat.dir/build -make -f csg/src/tools/CMakeFiles/csg_resample.dir/build.make csg/src/tools/CMakeFiles/csg_resample.dir/build -make -f csg/src/tools/CMakeFiles/csg_fmatch.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch.dir/build -make -f csg/src/tools/CMakeFiles/csg_dlptopol.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol.dir/build -make -f csg/src/tools/CMakeFiles/csg_density.dir/build.make csg/src/tools/CMakeFiles/csg_density.dir/build -make -f csg/src/tools/CMakeFiles/csg_imc_solve.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve.dir/build make -f csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/build -make -f csg/src/csgapps/CMakeFiles/fluctuations.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations.dir/build -make -f csg/src/csgapps/CMakeFiles/orientcorr.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr.dir/build -make -f csg/src/csgapps/CMakeFiles/part_dist.dir/build.make csg/src/csgapps/CMakeFiles/part_dist.dir/build make -f csg/src/csgapps/CMakeFiles/partial_rdf.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf.dir/build -make -f csg/src/csgapps/CMakeFiles/radii.dir/build.make csg/src/csgapps/CMakeFiles/radii.dir/build -make -f csg/src/csgapps/CMakeFiles/sphericalorder.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder.dir/build make -f csg/src/csgapps/CMakeFiles/traj_force.dir/build.make csg/src/csgapps/CMakeFiles/traj_force.dir/build +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/depend +make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/depend make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/depend -make -f csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build.make csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/depend -make -f csg/src/tests/CMakeFiles/unit_test_interaction.dir/build.make csg/src/tests/CMakeFiles/unit_test_interaction.dir/depend -make -f csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/depend -make -f csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/DependInfo.cmake "--color=" -make -f csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/DependInfo.cmake "--color=" -make -f csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/DependInfo.cmake "--color=" +Dependencies file "csg/src/tests/CMakeFiles/unit_test_basebead.dir/test_basebead.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_basebead.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_interaction.dir/DependInfo.cmake "--color=" -make -f csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build.make csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build.make csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/depend +Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/test_beadmotif_algorithms.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_gmxtopol.dir/build'. +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/fluctuations.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/test_beadmotif_base.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/orientcorr.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_property.dir/build'. +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/part_dist.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_resample.dir/build'. +make[3]: Nothing to be done for 'csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/test_beadtriple.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/traj_force.dir/build'. +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/partial_rdf.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "csg/src/tests/CMakeFiles/unit_test_bead.dir/test_bead.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bead.dir/compiler_depend.internal". +Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/test_beadmotif_connector.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/compiler_depend.internal". +Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/test_beadstructure_base.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/compiler_depend.internal". +make -f csg/src/tests/CMakeFiles/unit_test_interaction.dir/build.make csg/src/tests/CMakeFiles/unit_test_interaction.dir/depend +[ 35%] Built target fluctuations +[ 35%] Built target orientcorr +Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build.make xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_interaction.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/depend +Dependencies file "csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/test_csg_topology.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/compiler_depend.internal". +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/depend +make -f csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/DependInfo.cmake "--color=" +[ 36%] Built target partial_rdf +make -f csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/depend +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 37%] Built target votca_csg_boltzmann +[ 36%] Built target traj_force +[ 37%] Built target part_dist +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/test_nblist_3body.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build.make csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/depend cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/DependInfo.cmake "--color=" +make -f csg/src/csgapps/CMakeFiles/radii.dir/build.make csg/src/csgapps/CMakeFiles/radii.dir/build +Dependencies file "csg/src/tests/CMakeFiles/unit_test_interaction.dir/test_interaction.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_interaction.dir/compiler_depend.internal". +make -f csg/src/csgapps/CMakeFiles/sphericalorder.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder.dir/build +make -f csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build.make csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_fmatch.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build.make csg/src/tests/CMakeFiles/unit_test_triplelist.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build.make csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/depend +Dependencies file "csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/compiler_depend.internal". +Dependencies file "csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/DependInfo.cmake "--color=" +make -f csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build.make csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_dlptopol.dir/build'. -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_stat.dir/build'. +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/radii.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/sphericalorder.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_beadstructure_base +Consolidate compiler generated dependencies of target unit_test_bead +Consolidate compiler generated dependencies of target unit_test_csg_topology +Consolidate compiler generated dependencies of target unit_test_basebead +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_nblist_3body +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_bead.dir/build.make csg/src/tests/CMakeFiles/unit_test_bead.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/compiler_depend.internal". +make -f csg/src/tests/CMakeFiles/unit_test_basebead.dir/build.make csg/src/tests/CMakeFiles/unit_test_basebead.dir/build +[ 37%] Built target radii +[ 37%] Built target sphericalorder +make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build +Dependencies file "csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/compiler_depend.internal". +Dependencies file "csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/test_pdbreader.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_density.dir/build'. +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_bead.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build.make csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build +make -f csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build +Dependencies file "csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_basebead.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_imc_solve.dir/build'. +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build.make csg/src/tests/CMakeFiles/unit_test_triplelist.dir/depend +make -f csg/share/template/CMakeFiles/template_serial.dir/build.make csg/share/template/CMakeFiles/template_serial.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_triplelist.dir/DependInfo.cmake "--color=" -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/part_dist.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_serial.dir/DependInfo.cmake "--color=" +Consolidate compiler generated dependencies of target unit_test_lammpsdatareader +Consolidate compiler generated dependencies of target unit_test_boundarycondition +Consolidate compiler generated dependencies of target unit_test_beadtriple make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/orientcorr.dir/build'. -make -f csg/share/template/CMakeFiles/template_serial.dir/build.make csg/share/template/CMakeFiles/template_serial.dir/depend +[ 37%] Built target unit_test_bead +[ 37%] Built target unit_test_basebead +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build +make -f csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build.make csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build +make -f csg/share/template/CMakeFiles/template_threaded.dir/build.make csg/share/template/CMakeFiles/template_threaded.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/fluctuations.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_threaded.dir/DependInfo.cmake "--color=" +Dependencies file "csg/share/template/CMakeFiles/template_serial.dir/template_serial.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_serial.dir/compiler_depend.internal". +Dependencies file "csg/src/tests/CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_triplelist.dir/compiler_depend.internal". +Dependencies file "csg/share/template/CMakeFiles/template_threaded.dir/template_threaded.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_threaded.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_serial.dir/DependInfo.cmake "--color=" -make -f csg/share/template/CMakeFiles/template_threaded.dir/build.make csg/share/template/CMakeFiles/template_threaded.dir/depend +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_interaction +Consolidate compiler generated dependencies of target unit_test_beadstructure_algorithms +Consolidate compiler generated dependencies of target unit_test_lammpsdumpreaderwriter +Consolidate compiler generated dependencies of target unit_test_tabulatedpotential +Consolidate compiler generated dependencies of target unit_test_beadmotif_base +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_beadmotif_connector +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build +Consolidate compiler generated dependencies of target unit_test_beadmotif_algorithms +make -f csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build.make csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_pdbreader +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_interaction.dir/build.make csg/src/tests/CMakeFiles/unit_test_interaction.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build +[ 38%] Built target unit_test_beadstructure_base +[ 38%] Built target unit_test_lammpsdatareader +[ 38%] Built target unit_test_csg_topology make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/radii.dir/build'. +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build +[ 38%] Built target unit_test_nblist_3body +[ 38%] Built target unit_test_beadtriple make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/sphericalorder.dir/build'. +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/partial_rdf.dir/build'. +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_interaction.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build.make csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csg_boltzmann/CMakeFiles/votca_csg_boltzmann.dir/build'. +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_threaded.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build.make csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build +Consolidate compiler generated dependencies of target unit_test_nblistgrid_3body +Consolidate compiler generated dependencies of target template_threaded make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/traj_force.dir/build'. +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/test_lammpsdumpreaderwriter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/compiler_depend.internal". -Dependencies file "csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/test_lammpsdatareader.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/compiler_depend.internal". -[ 32%] Built target csg_fmatch -[ 33%] Built target csg_resample -[ 33%] Built target csg_dlptopol -[ 35%] Built target csg_gmxtopol -Dependencies file "csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/test_pdbreader.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/compiler_depend.internal". -[ 35%] Built target csg_imc_solve -make -f csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/depend -make -f csg/src/tools/CMakeFiles/csg_map_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_map_manpage.dir/depend -make -f csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dump_manpage.dir/depend -make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/depend -Dependencies file "csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/test_beadstructure_algorithms.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/compiler_depend.internal". -Dependencies file "csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/test_nblistgrid_3body.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/compiler_depend.internal". -make -f csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/depend -Dependencies file "csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/test_csg_topology.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/compiler_depend.internal". +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build.make csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/DependInfo.cmake "--color=" -make -f csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/depend +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_map_manpage.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/share/template/CMakeFiles/template_threaded.dir/build.make csg/share/template/CMakeFiles/template_threaded.dir/build +Consolidate compiler generated dependencies of target unit_test_triplelist +[ 40%] Built target unit_test_boundarycondition +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build.make csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dump_manpage.dir/DependInfo.cmake "--color=" -make -f csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/depend +make[3]: Nothing to be done for 'csg/share/template/CMakeFiles/template_threaded.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "csg/src/tests/CMakeFiles/unit_test_interaction.dir/test_interaction.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_interaction.dir/compiler_depend.internal". -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_resample_manpage.dir/DependInfo.cmake "--color=" -make -f csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/depend -Dependencies file "csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/test_nblist_3body.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/compiler_depend.internal". +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 40%] Built target unit_test_beadmotif_base +[ 40%] Built target unit_test_lammpsdumpreaderwriter +[ 40%] Built target unit_test_beadstructure_algorithms +[ 41%] Built target unit_test_interaction +[ 41%] Built target unit_test_beadmotif_connector +[ 42%] Built target unit_test_beadmotif_algorithms +make -f csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/depend +Consolidate compiler generated dependencies of target template_serial +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Built target unit_test_tabulatedpotential make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/DependInfo.cmake "--color=" -[ 35%] Built target csg_stat +make[3]: Nothing to be done for 'xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 42%] Built target unit_test_pdbreader +[ 42%] Built target unit_test_nblistgrid_3body +make -f csg/share/template/CMakeFiles/template_serial.dir/build.make csg/share/template/CMakeFiles/template_serial.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/DependInfo.cmake "--color=" -Dependencies file "csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/test_boundarycondition.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/compiler_depend.internal". -[ 35%] Built target csg_property +make -f csg/src/tools/CMakeFiles/csg_map_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_map_manpage.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/DependInfo.cmake "--color=" -[ 35%] Built target csg_density -Dependencies file "csg/src/tests/CMakeFiles/unit_test_triplelist.dir/test_triplelist.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_triplelist.dir/compiler_depend.internal". -make -f csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_stat_manpage.dir/depend -[ 35%] Built target orientcorr -[ 35%] Built target fluctuations -Dependencies file "csg/share/template/CMakeFiles/template_serial.dir/template_serial.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_serial.dir/compiler_depend.internal". -[ 35%] Built target radii +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_map_manpage.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dump_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_stat_manpage.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dump_manpage.dir/DependInfo.cmake "--color=" make -f csg/src/tools/CMakeFiles/csg_property_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_property_manpage.dir/depend -Dependencies file "csg/share/template/CMakeFiles/template_threaded.dir/template_threaded.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/CMakeFiles/template_threaded.dir/compiler_depend.internal". -[ 37%] Built target part_dist -make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/depend -[ 37%] Built target votca_csg_boltzmann -make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/depend -[ 37%] Built target partial_rdf -[ 37%] Built target sphericalorder -make -f csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_property_manpage.dir/DependInfo.cmake "--color=" -[ 37%] Built target traj_force -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_density_manpage.dir/DependInfo.cmake "--color=" -make -f csg/src/csgapps/CMakeFiles/radii_manpage.dir/build.make csg/src/csgapps/CMakeFiles/radii_manpage.dir/depend -make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/DependInfo.cmake "--color=" -make -f xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build.make xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/radii_manpage.dir/DependInfo.cmake "--color=" -make -f csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/depend -make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/depend -make -f csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build.make csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/DependInfo.cmake "--color=" -make -f csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build.make csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build.make csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/depend +make -f csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_stat_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_resample_manpage.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'csg/share/template/CMakeFiles/template_serial.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_stat_manpage.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/depend +make -f csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/DependInfo.cmake "--color=" -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build -make -f csg/src/tools/CMakeFiles/csg_map_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_map_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build -make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_map_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_map_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_reupdate_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_map_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_dump_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_property_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_property_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_property_manpage.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_resample_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build +make -f csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_fmatch_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_gmxtopol_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/DependInfo.cmake "--color=" +make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/depend +make -f csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_density_manpage.dir/DependInfo.cmake "--color=" +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/DependInfo.cmake "--color=" +make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/DependInfo.cmake "--color=" +make -f csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/depend +make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/DependInfo.cmake "--color=" +make -f csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/build +make -f csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_property_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_property_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_dlptopol_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build +[ 44%] Built target template_serial +make -f csg/src/csgapps/CMakeFiles/radii_manpage.dir/build.make csg/src/csgapps/CMakeFiles/radii_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_density_manpage.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/radii_manpage.dir/DependInfo.cmake "--color=" +[ 67%] Built target votca_xtp +[ 68%] Built target csg_stat_manpage +[ 44%] Built target csg_map_manpage +[ 44%] Built target csg_gmxtopol_manpage +[ 44%] Built target csg_reupdate_manpage +[ 68%] Built target unit_test_triplelist +[ 44%] Built target csg_property_manpage +[ 44%] Built target csg_fmatch_manpage +[ 44%] Built target csg_dump_manpage +[ 44%] Built target template_threaded make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/radii_manpage.dir/build.make csg/src/csgapps/CMakeFiles/radii_manpage.dir/build +[ 44%] Built target csg_resample_manpage +make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/tools/CMakeFiles/csg_density_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_density_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_property_manpage.dir/build'. +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build.make csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_imc_solve_manpage.dir/build'. +make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_density_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/radii_manpage.dir/build'. +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/test_tabulatedpotential.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 68%] Built target csg_dlptopol_manpage +make -f csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/orientcorr_manpage.dir/build'. +[ 68%] Built target csg_imc_solve_manpage +make -f csg/src/csgapps/CMakeFiles/radii_manpage.dir/build.make csg/src/csgapps/CMakeFiles/radii_manpage.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build'. +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/radii_manpage.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 68%] Built target fluctuations_manpage +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build +make -f csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build.make csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build +[ 68%] Built target csg_density_manpage make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/part_dist_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build.make csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build -[ 37%] Built target csg_fmatch_manpage -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build.make csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build +make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/depend +[ 68%] Built target orientcorr_manpage make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tools/CMakeFiles/csg_stat_manpage.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 37%] Built target csg_dump_manpage -[ 37%] Built target csg_map_manpage +make[3]: Nothing to be done for 'csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 37%] Built target csg_reupdate_manpage -make -f csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build.make csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build -make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/partial_rdf_manpage.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/DependInfo.cmake "--color=" +[ 70%] Built target radii_manpage +[ 70%] Built target part_dist_manpage +make -f csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build.make csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/DependInfo.cmake "--color=" +make -f xtp/src/tools/CMakeFiles/xtp_map.dir/build.make xtp/src/tools/CMakeFiles/xtp_map.dir/depend +make -f xtp/src/tools/CMakeFiles/xtp_run.dir/build.make xtp/src/tools/CMakeFiles/xtp_run.dir/depend +make -f xtp/src/tools/CMakeFiles/xtp_tools.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools.dir/depend +make -f csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build.make csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/depend make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/fluctuations_manpage.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_map.dir/DependInfo.cmake "--color=" +[ 70%] Built target partial_rdf_manpage +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_tools.dir/DependInfo.cmake "--color=" +make -f csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build.make csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_run.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_adiis.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/sphericalorder_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 71%] Built target csg_boltzmann make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 37%] Built target csg_dlptopol_manpage +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_adiis.dir/DependInfo.cmake "--color=" make -f csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build.make csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build -[ 37%] Built target csg_gmxtopol_manpage make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'csg/src/csgapps/CMakeFiles/traj_force_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 37%] Built target csg_resample_manpage +make -f xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/DependInfo.cmake "--color=" -[ 37%] Built target csg_imc_solve_manpage -[ 38%] Built target csg_property_manpage -[ 38%] Built target radii_manpage -[ 38%] Built target part_dist_manpage -[ 38%] Built target csg_density_manpage -[ 40%] Built target sphericalorder_manpage -[ 40%] Built target csg_stat_manpage -[ 40%] Built target orientcorr_manpage -[ 40%] Built target partial_rdf_manpage -[ 40%] Built target fluctuations_manpage -[ 40%] Built target traj_force_manpage -Consolidate compiler generated dependencies of target unit_test_beadmotif_base -Consolidate compiler generated dependencies of target unit_test_beadstructure_base -Consolidate compiler generated dependencies of target unit_test_lammpsdatareader -Consolidate compiler generated dependencies of target unit_test_lammpsdumpreaderwriter -Consolidate compiler generated dependencies of target unit_test_basebead -Consolidate compiler generated dependencies of target unit_test_boundarycondition -Consolidate compiler generated dependencies of target unit_test_pdbreader -Consolidate compiler generated dependencies of target unit_test_beadstructure_algorithms -Consolidate compiler generated dependencies of target unit_test_nblistgrid_3body -Consolidate compiler generated dependencies of target unit_test_csg_topology -Consolidate compiler generated dependencies of target unit_test_bead -Consolidate compiler generated dependencies of target unit_test_beadtriple -Consolidate compiler generated dependencies of target unit_test_beadmotif_algorithms -Consolidate compiler generated dependencies of target unit_test_triplelist -Consolidate compiler generated dependencies of target unit_test_tabulatedpotential -Consolidate compiler generated dependencies of target template_serial -Consolidate compiler generated dependencies of target template_threaded -Consolidate compiler generated dependencies of target unit_test_interaction -Consolidate compiler generated dependencies of target unit_test_nblist_3body -Consolidate compiler generated dependencies of target unit_test_bondedstatistics +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/depend make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_adiis.dir/test_adiis.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_adiis.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_map.dir/build.make xtp/src/tools/CMakeFiles/xtp_map.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/DependInfo.cmake "--color=" +make -f xtp/src/tools/CMakeFiles/xtp_tools.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/depend +[ 71%] Built target traj_force_manpage +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/test_aobasis.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build +Dependencies file "csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/test_bondedstatistics.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/DependInfo.cmake "--color=" +make -f xtp/src/tools/CMakeFiles/xtp_run.dir/build.make xtp/src/tools/CMakeFiles/xtp_run.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_atom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_atom.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/test_aomatrix3d.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_atom.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_map.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_tools.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_run.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/test_aotransform.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build.make xtp/src/tests/CMakeFiles/unit_test_basisset.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_basisset.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_atom.dir/test_atom.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_atom.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/test_aopotential.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_bse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build.make xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bse.dir/DependInfo.cmake "--color=" +[ 71%] Built target xtp_map +[ 71%] Built target sphericalorder_manpage +[ 71%] Built target xtp_tools +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_basisset.dir/test_basisset.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_basisset.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/test_qmatom.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_diis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diis.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/test_bseoperator_btda.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diis.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/test_polarsegment.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_bse.dir/test_bse.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bse.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/test_bfgs_trm.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/test_ecpaobasis.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/test_dftcoupling.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_diis.dir/test_diis.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diis.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/test_convergenceacc.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_adiis +Consolidate compiler generated dependencies of target unit_test_aobasis +[ 72%] Built target xtp_run make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eigen.dir/depend make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eigen.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eigen.dir/compiler_depend.internal". +[ 72%] Built target unit_test_adiis +make -f xtp/src/tests/CMakeFiles/unit_test_eris.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eris.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu 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unit_test_bseoperator_btda +Consolidate compiler generated dependencies of target unit_test_atom +Consolidate compiler generated dependencies of target unit_test_aomatrix make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_bondedstatistics +make -f xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build.make xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build +Consolidate compiler generated dependencies of target unit_test_aomatrix3d make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_aotransform +Consolidate compiler generated dependencies of target unit_test_diis +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f 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'csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_atom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_atom.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadmotif_base.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_basebead.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_bead.dir/build'. -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadstructure_base.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_bse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadtriple.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_csg_topology.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_atom.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_diis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diis.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_boundarycondition.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadmotif_algorithms.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_lammpsdatareader.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadstructure_algorithms.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 72%] Built target unit_test_basisset +[ 72%] Built target unit_test_aomatrix +[ 72%] Built target unit_test_bondedstatistics +make -f xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build.make xtp/src/tests/CMakeFiles/unit_test_espfit.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_nblistgrid_3body.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_espfit.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_glink.dir/build.make xtp/src/tests/CMakeFiles/unit_test_glink.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_interaction.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_glink.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_pdbreader.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build.make xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_tabulatedpotential.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_espfit.dir/test_espfit.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_espfit.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_glink.dir/test_glink.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_glink.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/test_hdf5.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_eris +Consolidate compiler generated dependencies of target unit_test_ecpaobasis +Consolidate compiler generated dependencies of target unit_test_convergenceacc +Consolidate compiler generated dependencies of target unit_test_eigen +Consolidate compiler generated dependencies of target unit_test_qmatom make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_nblist_3body.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_lammpsdumpreaderwriter.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_bondedstatistics.dir/build'. +make -f xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build +[ 74%] Built target unit_test_atom +[ 75%] Built target unit_test_bseoperator_btda +make -f xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 76%] Built target unit_test_aopotential +Consolidate compiler generated dependencies of target unit_test_polarsegment +[ 76%] Built target unit_test_bfgs_trm make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_triplelist.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_diis.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/share/template/CMakeFiles/template_serial.dir/build'. +[ 76%] Built target unit_test_aomatrix3d make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/share/template/CMakeFiles/template_threaded.dir/build'. +[ 76%] Built target unit_test_qmmolecule +[ 76%] Built target unit_test_aotransform +make -f xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build.make xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 41%] Built target csg_boltzmann -make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/depend -[ 41%] Built target unit_test_bead -[ 41%] Built target unit_test_beadmotif_base -[ 42%] Built target unit_test_beadstructure_base -[ 44%] Built target unit_test_beadmotif_algorithms -[ 44%] Built target unit_test_basebead -[ 44%] Built target unit_test_beadstructure_algorithms +make -f xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_eris.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eris.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/DependInfo.cmake "--color=" -[ 44%] Built target unit_test_csg_topology -[ 44%] Built target unit_test_lammpsdatareader -[ 44%] Built target unit_test_tabulatedpotential -[ 45%] Built target unit_test_interaction -[ 45%] Built target unit_test_beadtriple -[ 45%] Built target unit_test_nblist_3body -[ 45%] Built target unit_test_lammpsdumpreaderwriter -[ 45%] Built target unit_test_nblistgrid_3body -[ 45%] Built target unit_test_pdbreader -[ 46%] Built target unit_test_triplelist -[ 48%] Built target unit_test_boundarycondition -[ 48%] Built target template_threaded -[ 48%] Built target unit_test_bondedstatistics -[ 48%] Built target template_serial +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 48%] Built target csg_boltzmann_manpage -Consolidate compiler generated dependencies of target unit_test_beadmotif_connector +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build.make csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'csg/src/tests/CMakeFiles/unit_test_beadmotif_connector.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 48%] Built target unit_test_beadmotif_connector +make -f xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build.make xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/libxtp/CMakeFiles/votca_xtp.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 71%] Built target votca_xtp -make -f xtp/src/tools/CMakeFiles/xtp_parallel.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel.dir/depend -make -f xtp/src/tools/CMakeFiles/xtp_map.dir/build.make xtp/src/tools/CMakeFiles/xtp_map.dir/depend -make -f xtp/src/tools/CMakeFiles/xtp_run.dir/build.make xtp/src/tools/CMakeFiles/xtp_run.dir/depend -make -f xtp/src/tools/CMakeFiles/xtp_tools.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_adiis.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_adiis.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_atom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_atom.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_atom.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build.make xtp/src/tests/CMakeFiles/unit_test_basisset.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_parallel.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_map.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_run.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bse.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/DependInfo.cmake "--color=" -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_tools.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_bse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_basisset.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build.make xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_diis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diis.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bse.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eigen.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_eris.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eris.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eigen.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_glink.dir/build.make xtp/src/tests/CMakeFiles/unit_test_glink.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build.make xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/depend +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eris.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build.make xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/depend +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_espfit.dir/DependInfo.cmake "--color=" +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_eris.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 77%] Built target unit_test_diis +[ 77%] Built target unit_test_ecpaobasis +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/test_densityintegration.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/compiler_depend.internal". +[ 77%] Built target unit_test_polarsegment +[ 77%] Built target unit_test_convergenceacc +[ 79%] Built target unit_test_qmatom make -f xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_glink.dir/DependInfo.cmake "--color=" +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_dftcoupling +[ 79%] Built target unit_test_bse make -f xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ppm.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ppm.dir/depend +[ 79%] Built target unit_test_eris make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ppm.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/test_regular_grid.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/depend -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_atom.dir/test_atom.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_atom.dir/compiler_depend.internal". +[ 79%] Built target unit_test_eigen +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_ppm.dir/test_ppm.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_ppm.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/DependInfo.cmake "--color=" -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/test_aomatrix.cc.o.d" is newer than depends file 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segment.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests 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'/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_tools.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_parallel.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_densityintegration +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build.make xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_glink.dir/build.make xtp/src/tests/CMakeFiles/unit_test_glink.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build.make xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/DependInfo.cmake "--color=" -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/test_qmmolecule.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/compiler_depend.internal". -Dependencies file 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_eigen.dir/test_eigen.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eigen.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/test_cubefile_writer.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_glink.dir/test_glink.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_glink.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/test_vxc_potential.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/test_densityintegration.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/test_polarsite.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_rpa.dir/test_rpa.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa.dir/compiler_depend.internal". -Dependencies file 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to be done for 'xtp/src/tests/CMakeFiles/unit_test_glink.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_eris.dir/test_eris.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eris.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/test_orbitals.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/test_vxc_grid.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/test_qmstate.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_run.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 79%] Built target unit_test_cubefile_writer make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_map.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/test_regular_grid.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/test_rpa_h2p.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/test_qmpair.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/test_qmnblist.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/compiler_depend.internal". -Dependencies file 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/build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segment.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build.make 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cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/DependInfo.cmake "--color=" -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/test_aoshell.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/DependInfo.cmake "--color=" Dependencies file "xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/test_sphere_lebedev_rule.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_segment.dir/test_segment.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segment.dir/compiler_depend.internal". -Consolidate compiler generated dependencies of target unit_test_staticsite -Consolidate compiler generated dependencies of target unit_test_qmstate -Consolidate compiler generated dependencies of target unit_test_atom -Consolidate compiler generated dependencies of target unit_test_eigen -Consolidate compiler generated dependencies of target unit_test_diis -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_atom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_atom.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/test_symmetric_matrix.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/test_statetracker.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_radial_euler_maclaurin_rule +Consolidate compiler generated dependencies of target unit_test_vxc_grid +[ 80%] Built target unit_test_densityintegration +[ 80%] Built target unit_test_hdf5 make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_diis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diis.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build'. -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_atom.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_diis.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/test_threecenter_gwbse.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_eigen.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 80%] Built target unit_test_vxc_grid +make -f xtp/src/tests/CMakeFiles/unit_test_topology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_topology.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_topology.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/test_threecenter_dft.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/compiler_depend.internal". +[ 80%] Built target unit_test_radial_euler_maclaurin_rule Consolidate compiler generated dependencies of target unit_test_rpa +Consolidate compiler generated dependencies of target unit_test_aoshell +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/depend Consolidate compiler generated dependencies of target unit_test_polarsite -Consolidate compiler generated dependencies of target unit_test_qmmolecule -Consolidate compiler generated dependencies of target unit_test_cubefile_writer Consolidate compiler generated dependencies of target unit_test_orbitals -Consolidate compiler generated dependencies of target unit_test_radial_euler_maclaurin_rule -Consolidate compiler generated dependencies of target unit_test_ppm -Consolidate compiler generated dependencies of target unit_test_glink -Consolidate compiler generated dependencies of target unit_test_qmatom -Consolidate compiler generated dependencies of target unit_test_segment -Consolidate compiler generated dependencies of target unit_test_vxc_grid -Consolidate compiler generated dependencies of target unit_test_densityintegration Consolidate compiler generated dependencies of target unit_test_vxc_potential -Consolidate compiler generated dependencies of target unit_test_dftcoupling -Consolidate compiler generated dependencies of target unit_test_aopotential -Consolidate compiler generated dependencies of target unit_test_regular_grid -Consolidate compiler generated dependencies of target unit_test_ecpaobasis -Consolidate compiler generated dependencies of target unit_test_aomatrix3d -Consolidate compiler generated dependencies of target unit_test_basisset -Consolidate compiler generated dependencies of target unit_test_convergenceacc -Consolidate compiler generated dependencies of target unit_test_bse -Consolidate compiler generated dependencies of target unit_test_aotransform -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_aoshell -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_sphere_lebedev_rule -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_rpa_h2p -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_qmstate make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' Consolidate compiler generated dependencies of target unit_test_qmnblist -Consolidate compiler generated dependencies of target unit_test_espfit -Consolidate compiler generated dependencies of target unit_test_bfgs_trm -Consolidate compiler generated dependencies of target unit_test_aomatrix make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_adiis -Consolidate compiler generated dependencies of target unit_test_qmpair -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_statetracker -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_eris -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_regular_grid +Consolidate compiler generated dependencies of target unit_test_qmpair make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 74%] Built target unit_test_staticsite make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_statetracker +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_topology.dir/test_topology.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_topology.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_ppm make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build -[ 74%] Built target unit_test_qmstate -[ 74%] Built target unit_test_eigen make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 75%] Built target unit_test_atom +make -f xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build.make xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build -[ 75%] Built target unit_test_diis +Consolidate compiler generated dependencies of target unit_test_rpa_h2p +Consolidate compiler generated dependencies of target unit_test_segment +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_staticsite make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_bse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build.make xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_eris.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eris.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build.make xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_glink.dir/build.make xtp/src/tests/CMakeFiles/unit_test_glink.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build.make xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build.make xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build make -f xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build make -f xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build make -f xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build.make xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build make -f xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build make -f xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmatom.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_adiis.dir/build'. -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmmolecule.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build make -f xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build make -f xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aotransform.dir/build'. -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aomatrix3d.dir/build'. -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aopotential.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/test_sigma_exact.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/compiler_depend.internal". make -f xtp/src/tests/CMakeFiles/unit_test_segment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segment.dir/build make -f xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_basisset.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build.make xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bfgs_trm.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bse.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_dftcoupling.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_glink.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_convergenceacc.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aomatrix.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_espfit.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_ecpaobasis.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_eris.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_vxc_potential.dir/build'. @@ -28480,657 +28570,603 @@ make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_polarsite.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_cubefile_writer.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_vxc_grid.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmstate.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_segment.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_densityintegration.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmpair.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmnblist.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_staticsite.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_orbitals.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_regular_grid.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_ppm.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/depend -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aoshell.dir/build'. -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_radial_euler_maclaurin_rule.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_rpa.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_statetracker.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_segment.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_rpa_h2p.dir/build'. -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_topology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_topology.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_topology.dir/DependInfo.cmake "--color=" -[ 76%] Built target unit_test_aomatrix3d -[ 76%] Built target unit_test_qmmolecule -[ 76%] Built target unit_test_bfgs_trm -[ 76%] Built target unit_test_aotransform -[ 76%] Built target unit_test_qmatom -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/DependInfo.cmake "--color=" -[ 76%] Built target unit_test_basisset -[ 77%] Built target unit_test_aopotential -[ 77%] Built target unit_test_adiis -[ 77%] Built target unit_test_bse +[ 80%] Built target unit_test_vxc_potential make -f xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/depend -make -f xtp/src/tests/CMakeFiles/unit_test_gw.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gw.dir/depend -[ 77%] Built target unit_test_convergenceacc -[ 77%] Built target unit_test_aomatrix -make -f xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 77%] Built target unit_test_espfit cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/DependInfo.cmake "--color=" -[ 77%] Built target unit_test_dftcoupling -[ 77%] Built target unit_test_glink +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/test_sigma_ppm.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/compiler_depend.internal". +[ 81%] Built target unit_test_rpa_h2p +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/depend +[ 83%] Built target unit_test_rpa make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/DependInfo.cmake "--color=" -[ 77%] Built target unit_test_ecpaobasis +make -f xtp/src/tests/CMakeFiles/unit_test_gw.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gw.dir/depend +[ 84%] Built target unit_test_qmpair make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gw.dir/DependInfo.cmake "--color=" -[ 77%] Built target unit_test_eris +make -f xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/depend +[ 85%] Built target unit_test_statetracker +[ 81%] Built target unit_test_segment +[ 85%] Built target unit_test_polarsite +[ 81%] Built target unit_test_aoshell +[ 81%] Built target unit_test_regular_grid +[ 81%] Built target unit_test_qmnblist +[ 81%] Built target unit_test_ppm +[ 81%] Built target unit_test_orbitals +[ 81%] Built target unit_test_qmstate +[ 81%] Built target unit_test_staticsite make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 77%] Built target unit_test_vxc_potential cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_davidson.dir/depend -[ 80%] Built target unit_test_polarsite make -f xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build.make xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/depend -[ 80%] Built target unit_test_qmpair make -f xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gnode.dir/depend make -f xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/depend make -f xtp/src/tests/CMakeFiles/unit_test_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_grid.dir/depend -[ 80%] Built target unit_test_cubefile_writer make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_davidson.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/DependInfo.cmake "--color=" -[ 81%] Built target unit_test_densityintegration make -f xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/depend 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make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/compiler_depend.internal". +make -f 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/build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hist.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/depend -[ 83%] Built target unit_test_sphere_lebedev_rule -make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/test_trustregion.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gnode.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_davidson.dir/test_davidson.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_davidson.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/DependInfo.cmake "--color=" -[ 83%] Built target unit_test_rpa_h2p -make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests 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/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/DependInfo.cmake "--color=" -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/depend -Dependencies file 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cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_molden.dir/build.make xtp/src/tests/CMakeFiles/unit_test_molden.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu 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/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/DependInfo.cmake "--color=" -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/test_bse_operator.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/compiler_depend.internal". -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 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"/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_gnode.dir/test_gnode.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gnode.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/test_vc2index.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_hist.dir/test_hist.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_hist.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o.d" is newer than 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xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_sigma_ppm make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_topology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_topology.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_trustregion +Consolidate compiler generated dependencies of target unit_test_qmfragment +Consolidate compiler generated dependencies of target unit_test_sigma_cda +Consolidate compiler generated dependencies of target unit_test_hist make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build.make xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 87%] Built target unit_test_threecenter_gwbse +Consolidate compiler generated dependencies of target unit_test_gw +[ 87%] Built target unit_test_threecenter_dft +Consolidate compiler generated dependencies of target unit_test_davidson +Consolidate compiler generated dependencies of target unit_test_sigma_exact make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_segmentmapper +[ 87%] Built target unit_test_symmetric_matrix make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_sphere_lebedev_rule make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_threecenter_gwbse make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_topology.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_gw.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gw.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_hist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hist.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sphere_lebedev_rule.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_gw.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_hist.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/depend +[ 87%] Built target unit_test_trustregion +[ 87%] Built target unit_test_topology +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/depend +[ 87%] Built target unit_test_davidson +make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orca.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/test_dipoledipoleinteraction.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/compiler_depend.internal". +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/test_populationanalysis.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_orca.dir/test_orca.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orca.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/test_dftengine.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/test_bsecoupling.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/test_rate_engine.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_grid make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_grid.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_grid.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_sigma_ppm +Consolidate compiler generated dependencies of target unit_test_gnode +Consolidate compiler generated dependencies of target unit_test_vc2index +Consolidate compiler generated dependencies of target unit_test_eeinteractor +Consolidate compiler generated dependencies of target unit_test_jobtopology make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Consolidate compiler generated dependencies of target unit_test_bse_operator make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bseoperator_btda.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build.make xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_topology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_topology.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build make -f xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build.make xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_gw.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gw.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make -f xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build.make xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build +[ 88%] Built target unit_test_sigma_exact +[ 89%] Built target unit_test_grid +[ 88%] Built target unit_test_sphere_lebedev_rule +[ 88%] Built target unit_test_qmfragment +[ 88%] Built target unit_test_segmentmapper +[ 88%] Built target unit_test_gw +[ 89%] Built target unit_test_sigma_cda +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 88%] Built target unit_test_hist make -f xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build make -f xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build.make xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_grid.dir/build.make xtp/src/tests/CMakeFiles/unit_test_grid.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build.make xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build make -f xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build.make xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_hist.dir/build.make xtp/src/tests/CMakeFiles/unit_test_hist.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build.make xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build make -f xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build.make xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_polarsegment.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build.make xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_davidson.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_symmetric_matrix.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_aobasis.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu 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/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/DependInfo.cmake "--color=" +make -f xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_threecenter_dft.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_threecenter_gwbse.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build.make xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_molden.dir/build.make xtp/src/tests/CMakeFiles/unit_test_molden.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sigma_exact.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_hdf5.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/test_DeltaQ_filter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/test_newton_rapson.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/compiler_depend.internal". +[ 89%] Built target unit_test_sigma_ppm +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/test_overlap_filter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/test_oscillatorstrength_filter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/test_localisation_filter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_molden.dir/build.make xtp/src/tests/CMakeFiles/unit_test_molden.dir/depend +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/test_indexparser.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/test_density_filter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_topology.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build.make xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_molden.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/test_orbreorder.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/compiler_depend.internal". +[ 89%] Built target unit_test_bse_operator +make -f xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_trustregion.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_molden.dir/test_molden.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_molden.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/test_gaussianwriter.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/compiler_depend.internal". make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_vc2index.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sigma_ppm.dir/build'. -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_qmfragment.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_gnode.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_sigma_cda.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 90%] Built target unit_test_vc2index +make -f xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_gw.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu 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/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/DependInfo.cmake "--color=" +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/test_incrementalfockbuilder.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/compiler_depend.internal". +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/test_parallelism.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/compiler_depend.internal". +[ 90%] Built target unit_test_jobtopology +Consolidate compiler generated dependencies of target unit_test_indexparser +Consolidate compiler generated dependencies of target unit_test_populationanalysis +Consolidate compiler generated dependencies of target unit_test_gaussianwriter +Consolidate compiler generated dependencies of target unit_test_density_filter +make -f xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_anderson.dir/depend make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bse_operator.dir/build'. +make -f xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build.make xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build.make xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_eeinteractor.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_anderson.dir/DependInfo.cmake "--color=" make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_hist.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_orca.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_jobtopology.dir/build'. +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_anderson.dir/test_anderson.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_anderson.dir/compiler_depend.internal". +Consolidate compiler generated dependencies of target unit_test_newton_rapson +Consolidate compiler generated dependencies of target unit_test_orca +Consolidate compiler generated dependencies of target unit_test_bsecoupling +Consolidate compiler generated dependencies of target unit_test_dftengine +Consolidate compiler generated dependencies of target unit_test_rate_engine +Consolidate compiler generated dependencies of target unit_test_localisation_filter make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_segmentmapper.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_indexparser.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_populationanalysis.dir/build'. +Consolidate compiler generated dependencies of target unit_test_dipoledipoleinteraction make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build'. +Consolidate compiler generated dependencies of target unit_test_overlap_filter +Consolidate compiler generated dependencies of target unit_test_oscillatorstrength_filter +[ 92%] Built target unit_test_gnode +[ 92%] Built target unit_test_populationanalysis +[ 92%] Built target unit_test_gaussianwriter +[ 92%] Built target unit_test_density_filter make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build'. +[ 92%] Built target unit_test_indexparser +make -f xtp/src/tests/CMakeFiles/unit_test_orca.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orca.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build.make xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build.make xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_orca.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_dftengine.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_dipoledipoleinteraction.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build'. +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/DependInfo.cmake "--color=" +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_bsecoupling.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_density_filter.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_oscillatorstrength_filter.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_newton_rapson.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_molden.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_localisation_filter.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_gaussianwriter.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_rate_engine.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_overlap_filter.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 84%] Built target unit_test_symmetric_matrix -[ 84%] Built target unit_test_davidson -[ 84%] Built target unit_test_polarsegment -[ 84%] Built target unit_test_aobasis -[ 84%] Built target unit_test_dipoledipoleinteraction -[ 85%] Built target unit_test_bseoperator_btda -[ 85%] Built target unit_test_hdf5 -[ 85%] Built target unit_test_sigma_exact -[ 87%] Built target unit_test_threecenter_gwbse -[ 87%] Built target unit_test_threecenter_dft -[ 87%] Built target unit_test_topology -[ 87%] Built target unit_test_sigma_ppm -make -f xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/depend -[ 88%] Built target unit_test_sigma_cda -[ 88%] Built target unit_test_gw make -f xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/depend -[ 88%] Built target unit_test_bse_operator +[ 92%] Built target unit_test_orca +[ 92%] Built target unit_test_dftengine +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/compiler_depend.internal". make -f xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/depend -[ 88%] Built target unit_test_trustregion +[ 92%] Built target unit_test_dipoledipoleinteraction +[ 92%] Built target unit_test_bsecoupling +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/DependInfo.cmake "--color=" make -f xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/depend make -f xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/DependInfo.cmake "--color=" -[ 90%] Built target unit_test_vc2index -[ 90%] Built target unit_test_grid make -f xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/depend -[ 92%] Built target unit_test_gnode -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/DependInfo.cmake "--color=" -make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/DependInfo.cmake "--color=" -make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/depend -[ 92%] Built target unit_test_segmentmapper +make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/DependInfo.cmake "--color=" -[ 92%] Built target unit_test_populationanalysis -[ 92%] Built target unit_test_eeinteractor -make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/depend -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/DependInfo.cmake "--color=" -make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/DependInfo.cmake "--color=" +[ 92%] Built target unit_test_oscillatorstrength_filter +[ 93%] Built target unit_test_rate_engine +make -f xtp/src/tools/CMakeFiles/xtp_parallel.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel.dir/depend +[ 93%] Built target unit_test_newton_rapson +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/depend +make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/depend +Consolidate compiler generated dependencies of target unit_test_parallelism +Consolidate compiler generated dependencies of target unit_test_anderson +Consolidate compiler generated dependencies of target unit_test_orbreorder make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 92%] Built target unit_test_qmfragment +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/DependInfo.cmake "--color=" +Consolidate compiler generated dependencies of target unit_test_DeltaQ_filter +Consolidate compiler generated dependencies of target unit_test_molden +Consolidate compiler generated dependencies of target unit_test_incrementalfockbuilder +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/depend +make -f xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build.make xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build make -f xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/depend -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/DependInfo.cmake "--color=" -[ 92%] Built target unit_test_jobtopology -[ 92%] Built target unit_test_hist make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/DependInfo.cmake "--color=" -[ 92%] Built target unit_test_orca +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/DependInfo.cmake "--color=" +[ 93%] Built target unit_test_localisation_filter +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/DependInfo.cmake "--color=" -[ 92%] Built target unit_test_dftengine -[ 92%] Built target unit_test_bsecoupling -[ 92%] Built target unit_test_oscillatorstrength_filter -[ 92%] Built target unit_test_molden -[ 92%] Built target unit_test_DeltaQ_filter -[ 92%] Built target unit_test_newton_rapson -[ 92%] Built target unit_test_density_filter -[ 93%] Built target unit_test_rate_engine +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_parallel.dir/DependInfo.cmake "--color=" [ 93%] Built target unit_test_overlap_filter -[ 93%] Built target unit_test_localisation_filter -[ 93%] Built target unit_test_gaussianwriter -[ 93%] Built target unit_test_indexparser -[ 94%] Built target unit_test_anderson -[ 96%] Built target unit_test_orbreorder -[ 97%] Built target unit_test_parallelism -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/test_gaussian_quadratures.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/compiler_depend.internal". -[ 97%] Built target unit_test_incrementalfockbuilder -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/compiler_depend.internal". make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build.make xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/test_diabatization.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/compiler_depend.internal". Dependencies file "xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/test_activedensitymatrix.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build.make xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/compiler_depend.internal". +make -f xtp/src/tests/CMakeFiles/unit_test_molden.dir/build.make xtp/src/tests/CMakeFiles/unit_test_molden.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build.make xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build.make csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'csg/src/csg_boltzmann/CMakeFiles/csg_boltzmann_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' Dependencies file "xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/test_pmlocalization.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/compiler_depend.internal". -make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build +Dependencies file "xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/compiler_depend.internal". +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/test_transition_densities.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/compiler_depend.internal". make -f xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build +make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_map_manpage.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/test_activedftengine.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/compiler_depend.internal". -Dependencies file "xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/test_truncdftengine.cc.o.d" is newer than depends file "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/compiler_depend.internal". +[ 93%] Built target csg_boltzmann_manpage +[ 93%] Built target xtp_tools_manpage +[ 93%] Built target xtp_run_manpage +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_parallel.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_tools_manpage.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_incrementalfockbuilder.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_parallelism.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_run_manpage.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_parallel.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -Consolidate compiler generated dependencies of target unit_test_diabatization Consolidate compiler generated dependencies of target unit_test_gaussian_quadratures -Consolidate compiler generated dependencies of target unit_test_transition_densities -Consolidate compiler generated dependencies of target unit_test_activedensitymatrix make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 94%] Built target unit_test_incrementalfockbuilder +[ 94%] Built target xtp_parallel +make -f xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build +[ 96%] Built target unit_test_parallelism +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_DeltaQ_filter.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 96%] Built target xtp_map_manpage +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_anderson.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build.make xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build -make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_molden.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build -[ 98%] Built target xtp_run_manpage -[ 98%] Built target xtp_tools_manpage -[ 98%] Built target xtp_parallel_manpage -[ 98%] Built target xtp_map_manpage -make -f CMakeFiles/manpages.dir/build.make CMakeFiles/manpages.dir/depend +make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/depend make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/CMakeFiles/manpages.dir/DependInfo.cmake "--color=" -Consolidate compiler generated dependencies of target unit_test_pmlocalization +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/DependInfo.cmake "--color=" make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_gaussian_quadratures.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_orbreorder.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build -Consolidate compiler generated dependencies of target unit_test_truncdftengine +[ 96%] Built target unit_test_DeltaQ_filter +[ 96%] Built target unit_test_molden +[ 97%] Built target unit_test_anderson +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build.make xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tools/CMakeFiles/xtp_parallel_manpage.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target unit_test_orbreorder +[ 98%] Built target xtp_parallel_manpage +make -f CMakeFiles/manpages.dir/build.make CMakeFiles/manpages.dir/depend +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +cd /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024 /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/CMakeFiles/manpages.dir/DependInfo.cmake "--color=" +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f CMakeFiles/manpages.dir/build.make CMakeFiles/manpages.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'CMakeFiles/manpages.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[ 98%] Built target manpages +[ 98%] Built target unit_test_gaussian_quadratures +Consolidate compiler generated dependencies of target unit_test_transition_densities +Consolidate compiler generated dependencies of target unit_test_pmlocalization +Consolidate compiler generated dependencies of target unit_test_activedensitymatrix +Consolidate compiler generated dependencies of target unit_test_diabatization Consolidate compiler generated dependencies of target unit_test_activedftengine make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build make -f xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build -make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build.make xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build +make -f xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build.make xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_activedensitymatrix.dir/build'. -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_diabatization.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make -f CMakeFiles/manpages.dir/build.make CMakeFiles/manpages.dir/build -make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build'. +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_transition_densities.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -make[3]: Nothing to be done for 'CMakeFiles/manpages.dir/build'. -make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' -[ 98%] Built target unit_test_gaussian_quadratures -[ 98%] Built target unit_test_diabatization make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_activedftengine.dir/build'. make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_pmlocalization.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +[100%] Built target unit_test_pmlocalization +[100%] Built target unit_test_activedftengine +[100%] Built target unit_test_diabatization [100%] Built target unit_test_transition_densities [100%] Built target unit_test_activedensitymatrix -[100%] Built target unit_test_pmlocalization +Consolidate compiler generated dependencies of target unit_test_truncdftengine +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make -f xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build.make xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build +make[3]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' +make[3]: Nothing to be done for 'xtp/src/tests/CMakeFiles/unit_test_truncdftengine.dir/build'. +make[3]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' [100%] Built target unit_test_truncdftengine -[100%] Built target manpages -[100%] Built target unit_test_activedftengine make[2]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /usr/bin/cmake -E cmake_progress_start /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/CMakeFiles 0 make[1]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' dh_auto_test - cd obj-x86_64-linux-gnu && make -j42 test ARGS\+=--verbose ARGS\+=-j42 + cd obj-x86_64-linux-gnu && make -j20 test ARGS\+=--verbose ARGS\+=-j20 make[1]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' Running tests... -/usr/bin/ctest --force-new-ctest-process --verbose -j42 +/usr/bin/ctest --force-new-ctest-process --verbose -j20 UpdateCTestConfiguration from :/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/DartConfiguration.tcl Parse Config file:/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/DartConfiguration.tcl UpdateCTestConfiguration from :/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/DartConfiguration.tcl @@ -29262,138 +29298,6 @@ 95: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_resample "--in" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_in" "--out" "table_cubicfit" "--type" "cubic" "--grid" "0:1:9" "--fitgrid" "0:2:9" 95: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample 95: Test timeout computed to be: 1500 -test 97 - Start 97: integration_Run_csg_dump - -97: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top /build/reproducible-path/votca-2024/csg/src/tools/references/methanol-water//topol_cg.xml > csg_dump.out" -97: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump -97: Test timeout computed to be: 1500 -test 99 - Start 99: integration_Run_csg_dump_gro - -99: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro > csg_dump_gro.out" -99: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_gro -99: Test timeout computed to be: 1500 -test 101 - Start 101: integration_Run_csg_dump_data - -101: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols_cg/spce.data > csg_dump_data.out" -101: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_data -101: Test timeout computed to be: 1500 -test 115 - Start 115: integration_Run_csg_property - -115: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/csg_defaults.xml --print . --short --path cg.inverse.gromacs.DESC > csg_property.out" -115: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property -115: Test timeout computed to be: 1500 -test 117 - Start 117: integration_Run_csg_property2 - -117: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/csg_defaults.xml --print . --path cg.inverse.gromacs.DESC > csg_property.out2" -117: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property -117: Test timeout computed to be: 1500 -test 119 - Start 119: integration_Run_csg_property3 - -119: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/test.xml --path A.B.C --print . > csg_property.out3" -119: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property -119: Test timeout computed to be: 1500 -test 121 - Start 121: integration_Run_csg_property4 - -121: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/test.xml --path A.B --print C > csg_property.out4" -121: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property -121: Test timeout computed to be: 1500 -test 1 - Start 1: integration_votca_propertyHelp - -1: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools/votca_property "--help" -1: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools -1: Test timeout computed to be: 1500 -test 2 - Start 2: unit_test_calculator - -2: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_calculator -2: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -2: Test timeout computed to be: 1500 -test 3 - Start 3: unit_test_constants - -3: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_constants -3: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -3: Test timeout computed to be: 1500 -test 4 - Start 4: unit_test_correlate - -4: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_correlate -4: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -4: Test timeout computed to be: 1500 -test 5 - Start 5: unit_test_crosscorrelate - -5: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_crosscorrelate -5: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -5: Test timeout computed to be: 1500 -test 6 - Start 6: unit_test_cubicspline - -6: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_cubicspline -6: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -6: Test timeout computed to be: 1500 -test 7 - Start 7: unit_test_datacollection - -7: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_datacollection -7: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -7: Test timeout computed to be: 1500 -test 8 - Start 8: unit_test_edge_base - -8: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_edge_base -8: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -8: Test timeout computed to be: 1500 -test 9 - Start 9: unit_test_edgecontainer - -9: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_edgecontainer -9: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -9: Test timeout computed to be: 1500 -test 10 - Start 10: unit_test_elements - -10: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_elements -10: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -10: Test timeout computed to be: 1500 -test 11 - Start 11: unit_test_filesystem - -11: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_filesystem -11: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -11: Test timeout computed to be: 1500 -test 12 - Start 12: unit_test_floatingpointcomparison - -12: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_floatingpointcomparison -12: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -12: Test timeout computed to be: 1500 -test 13 - Start 13: unit_test_graphalgorithm - -13: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_graphalgorithm -13: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -13: Test timeout computed to be: 1500 -test 14 - Start 14: unit_test_graph_base - -14: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_graph_base -14: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -14: Test timeout computed to be: 1500 -test 15 - Start 15: unit_test_graph_bf_visitor - -15: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_graph_bf_visitor -15: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests -15: Test timeout computed to be: 1500 103: :-) GROMACS - gmx grompp, 2024.2-Debian_2024.2_1 (double precision) (-: 103: 103: Executable: /usr/bin/gmx_d @@ -29440,9 +29344,9 @@ 55: 55: There were 2 NOTEs 55: -55: GROMACS reminds you: "Would You Like to Be the Monster Tonight ?" (Captain Beefheart) +55: GROMACS reminds you: "Hmm, It *Does* Go Well With the Chicken" (Beastie Boys) 55: -55: Setting the LD random seed to 1869733885 +55: Setting the LD random seed to 1874817918 55: 55: Generated 1 of the 1 non-bonded parameter combinations 55: @@ -29491,9 +29395,9 @@ 123: 123: There were 3 NOTEs 123: -123: GROMACS reminds you: "Would You Like to Be the Monster Tonight ?" (Captain Beefheart) +123: GROMACS reminds you: "Hmm, It *Does* Go Well With the Chicken" (Beastie Boys) 123: -123: Setting the LD random seed to -1074856001 +123: Setting the LD random seed to 2093858791 123: 123: Generated 28 of the 28 non-bonded parameter combinations 123: @@ -29555,9 +29459,9 @@ 126: 126: There were 4 NOTEs 126: -126: GROMACS reminds you: "Would You Like to Be the Monster Tonight ?" (Captain Beefheart) +126: GROMACS reminds you: "Hmm, It *Does* Go Well With the Chicken" (Beastie Boys) 126: -126: Setting the LD random seed to 935198620 +126: Setting the LD random seed to -1151467799 126: 126: Generated 21 of the 21 non-bonded parameter combinations 126: @@ -29565,7 +29469,7 @@ 126: 126: Excluding 3 bonded neighbours molecule type '3-MMA' 126: -126: Setting gen_seed to 1068486143 +126: Setting gen_seed to -310721609 126: 126: Velocities were taken from a Maxwell distribution at 600 K 126: Analysing residue names: @@ -29616,6 +29520,73 @@ 52: Artifically enforcing repulsive core. 52: 52: Finished RE update! +67: I have 648 beads in 216 molecules + 1/249 Test #55: integration_Run_gmx_grompp_re ...................... Passed 0.09 sec + 2/249 Test #123: integration_Run_gmx_grompp_ppy ..................... Passed 0.19 sec + 3/249 Test #126: integration_Run_gmx_grompp_mma ..................... Passed 0.19 sec + 4/249 Test #50: integration_Run_csg_reupdate ....................... Passed 0.19 sec + 5/249 Test #52: integration_Run_csg_reupdate2 ...................... Passed 0.18 sec +test 56 + Start 56: integration_Run_csg_reupdate_gmx + +56: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_reupdate "--options" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/settings_re.xml" "--top" "topol.tpr" "--trj" "conf.gro" "--hessian-check" "no" +56: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_reupdate_gmx +56: Test timeout computed to be: 1500 +test 97 + Start 97: integration_Run_csg_dump + +97: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top /build/reproducible-path/votca-2024/csg/src/tools/references/methanol-water//topol_cg.xml > csg_dump.out" +97: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump +97: Test timeout computed to be: 1500 +test 99 + Start 99: integration_Run_csg_dump_gro + +99: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro > csg_dump_gro.out" +99: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_gro +99: Test timeout computed to be: 1500 +test 101 + Start 101: integration_Run_csg_dump_data + +101: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols_cg/spce.data > csg_dump_data.out" +101: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_data +101: Test timeout computed to be: 1500 +test 115 + Start 115: integration_Run_csg_property + +115: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/csg_defaults.xml --print . --short --path cg.inverse.gromacs.DESC > csg_property.out" +115: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property +115: Test timeout computed to be: 1500 +67: I have 216 beads in 216 molecules for the coarsegraining +67: Reading frame, timestep 0 +67: writing coarse-grained trajectory to conf_cg.gro +95: doing cubic fit 0:2:9 +72: begin to calculate distribution functions +72: # of bonded interactions: 0 +72: # of non-bonded interactions: 1 +72: I have 648 beads in 216 molecules +72: I have 216 beads in 216 molecules for the coarsegraining +72: Reading frame, timestep 0 +74: begin to calculate inverse monte carlo parameters +74: # of bonded interactions: 0 +74: # of non-bonded interactions: 1 +74: I have 648 beads in 216 molecules +74: I have 216 beads in 216 molecules for the coarsegraining +74: Reading frame, timestep 0 +74: +74: written CG-CG.dist.new +74: written CG-CG.imc +74: written CG-CG.gmc +74: written CG-CG.idx + 6/249 Test #74: integration_Run_csg_stat-imc ....................... Passed 0.19 sec +69: begin to calculate distribution functions +69: # of bonded interactions: 0 +69: # of non-bonded interactions: 1 +69: I have 648 beads in 216 molecules +69: I have 216 beads in 216 molecules for the coarsegraining +69: Reading frame, timestep 0 +69: +69: written CG-CG.dist.new +69: written CG-CG.force.new 59: I have 648 beads in 216 molecules 59: I have 216 beads in 216 molecules for the coarsegraining 59: Reading frame, timestep 0 @@ -29634,6 +29605,9 @@ 59: Updating file: CG-CG.force 59: 59: We are done, thank you very much! +65: I have 648 beads in 216 molecules +65: Reading frame, timestep 0 +65: writing coarse-grained trajectory to frame.dump 61: I have 648 beads in 216 molecules 61: I have 216 beads in 216 molecules for the coarsegraining 61: Reading frame, timestep 0 @@ -29648,41 +29622,6 @@ 61: 61: Using constrained Least Squares! 61: -65: I have 648 beads in 216 molecules -65: Reading frame, timestep 0 -65: writing coarse-grained trajectory to frame.dump -67: I have 648 beads in 216 molecules -67: I have 216 beads in 216 molecules for the coarsegraining -67: Reading frame, timestep 0 -67: writing coarse-grained trajectory to conf_cg.gro -69: begin to calculate distribution functions -69: # of bonded interactions: 0 -69: # of non-bonded interactions: 1 -69: I have 648 beads in 216 molecules -69: I have 216 beads in 216 molecules for the coarsegraining -69: Reading frame, timestep 0 -69: -69: written CG-CG.dist.new -69: written CG-CG.force.new -72: begin to calculate distribution functions -72: # of bonded interactions: 0 -72: # of non-bonded interactions: 1 -72: I have 648 beads in 216 molecules -72: I have 216 beads in 216 molecules for the coarsegraining -72: Reading frame, timestep 0 -72: -72: written CG-CG-CG.dist.new -74: begin to calculate inverse monte carlo parameters -74: # of bonded interactions: 0 -74: # of non-bonded interactions: 1 -74: I have 648 beads in 216 molecules -74: I have 216 beads in 216 molecules for the coarsegraining -74: Reading frame, timestep 0 -74: -74: written CG-CG.dist.new -74: written CG-CG.imc -74: written CG-CG.gmc -74: written CG-CG.idx 85: begin to calculate inverse monte carlo parameters 85: # of bonded interactions: 0 85: # of non-bonded interactions: 3 @@ -29692,9 +29631,112 @@ 85: written LJ1-LJ2.dist.new 85: written LJ2-LJ2.dist.new 85: written all.imc + 7/249 Test #59: integration_Run_csg_fmatch ......................... Passed 0.23 sec + 8/249 Test #65: integration_Run_csg_map ............................ Passed 0.22 sec + 9/249 Test #67: integration_Run_csg_map_gro ........................ Passed 0.22 sec + 10/249 Test #69: integration_Run_csg_stat ........................... Passed 0.22 sec + 11/249 Test #79: integration_Run_csg_imc_solve ...................... Passed 0.19 sec + 12/249 Test #89: integration_Run_csg_resample_akima ................. Passed 0.18 sec + 13/249 Test #91: integration_Run_csg_resample_cubic ................. Passed 0.18 sec + 14/249 Test #93: integration_Run_csg_resample_linear ................ Passed 0.18 sec + 15/249 Test #95: integration_Run_csg_resample_cubicfit .............. Passed 0.17 sec +test 117 + Start 117: integration_Run_csg_property2 + +117: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/csg_defaults.xml --print . --path cg.inverse.gromacs.DESC > csg_property.out2" +117: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property +117: Test timeout computed to be: 1500 +test 119 + Start 119: integration_Run_csg_property3 + +119: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/test.xml --path A.B.C --print . > csg_property.out3" +119: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property +119: Test timeout computed to be: 1500 +test 121 + Start 121: integration_Run_csg_property4 + +121: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_property --file /build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/test.xml --path A.B --print C > csg_property.out4" +121: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property +121: Test timeout computed to be: 1500 +test 124 + Start 124: integration_Run_csg_boltzmann_ppy + +124: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/csg_boltzmann "--top" "topol.tpr" "--cg" "ppy10.xml" "--excl" "excl.txt" +124: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_boltzmann_ppy +124: Test timeout computed to be: 1500 +test 127 + Start 127: integration_Run_csg_boltzmann_mma + +127: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/csg_boltzmann "--top" "topol.tpr" "--cg" "mapping.xml" "--excl" "excl.txt" +127: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_boltzmann_mma +127: Test timeout computed to be: 1500 +test 1 + Start 1: integration_votca_propertyHelp + +1: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools/votca_property "--help" +1: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tools +1: Test timeout computed to be: 1500 +test 2 + Start 2: unit_test_calculator + +2: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_calculator +2: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +2: Test timeout computed to be: 1500 +test 3 + Start 3: unit_test_constants + +3: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_constants +3: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +3: Test timeout computed to be: 1500 +test 4 + Start 4: unit_test_correlate + +4: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_correlate +4: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +4: Test timeout computed to be: 1500 +test 5 + Start 5: unit_test_crosscorrelate + +5: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_crosscorrelate +5: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +5: Test timeout computed to be: 1500 +72: 85: written all.gmc -85: written all.idx -95: doing cubic fit 0:2:9 +56: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) +56: I have 216 beads in 216 molecules +56: We have CG-CG CG potential +56: Between beads CG-CG +56: With Function form cbspl +56: And 4 parameters to optimize +56: Potential range: +56: rmin = 0.26 [nm] +56: rcutoff = 0.3 [nm] +56: Total number of parameters to optimize: 4 +56: Updating parameters +56: ****************** WARNING ***************** +56: Hessian H NOT a positive definite! +56: This can be a result of poor initial guess or ill-suited CG potential settings or poor CG sampling. +56: ******************************************** +56: +56: However, you want to proceed despite non-positive definite H. +56: Non-positive H does not gurantee relative entropy iterations to converge to minimum. +56: You can turn on Hessian check by setting command line option --hessian-check=true. +56: In this case, alternative update option is steepest descent. +56: AA Ensemble Avg Energy :: 0.328298 +56: CG Ensemble Avg Energy :: 5.31427 +56: Writing CG parameters and potential(s) +56: Writing file: CG-CG.pot.new +56: CG-CG potential's extrapolated core is attractive! +56: Artifically enforcing repulsive core. +56: +124: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) +124: I have 82 beads in 1 molecules +124: I have 10 beads in 1 molecules for the coarsegraining +124: Writing exclusion list for atomistic molecule Protein in coarse grained representation Protein +127: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) +127: I have 53 beads in 1 molecules +127: I have 11 beads in 1 molecules for the coarsegraining +127: Writing exclusion list for atomistic molecule 3-MMA in coarse grained representation 3-MMA 1: ================================================== 1: ======== VOTCA (http://www.votca.org) ======== 1: ================================================== @@ -29724,14 +29766,54 @@ 3: 3: *** No errors detected 3:  + 16/249 Test #115: integration_Run_csg_property ....................... Passed 0.16 sec + 17/249 Test #1: integration_votca_propertyHelp ..................... Passed 0.10 sec + 18/249 Test #2: unit_test_calculator ............................... Passed 0.10 sec + 19/249 Test #3: unit_test_constants ................................ Passed 0.03 sec +test 6 + Start 6: unit_test_cubicspline + +6: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_cubicspline +6: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +6: Test timeout computed to be: 1500 +test 7 + Start 7: unit_test_datacollection + +7: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_datacollection +7: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +7: Test timeout computed to be: 1500 +test 8 + Start 8: unit_test_edge_base + +8: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_edge_base +8: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +8: Test timeout computed to be: 1500 +test 9 + Start 9: unit_test_edgecontainer + +9: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_edgecontainer +9: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +9: Test timeout computed to be: 1500 +72: written CG-CG-CG.dist.new +85: written all.idx + 20/249 Test #85: integration_Run_csg_stat_imc_multi ................. Passed 0.38 sec +56: Writing file: CG-CG.param.new +56: CG-CG potential's extrapolated core is attractive! +56: Artifically enforcing repulsive core. +56: +56: Finished RE update! 4: Running 1 test case... 4: 4: *** No errors detected 4:  + 21/249 Test #4: unit_test_correlate ................................ Passed 0.07 sec 5: Running 1 test case... 5: 5: *** No errors detected 5:  + 22/249 Test #5: unit_test_crosscorrelate ........................... Passed 0.07 sec + 23/249 Test #99: integration_Run_csg_dump_gro ....................... Passed 0.23 sec + 24/249 Test #101: integration_Run_csg_dump_data ...................... Passed 0.23 sec 6: Running 5 test cases... 6: 6: *** No errors detected @@ -29746,77 +29828,51 @@ 8: 8: 8: *** No errors detected -8:  -9: Running 10 test cases... -9: -9: *** No errors detected -9:  -10: Running 2 test cases... -10: -10: *** No errors detected -10:  -11: Running 3 test cases... -11: -11: *** No errors detected -11:  -12: Running 1 test case... -12: -12: *** No errors detected -12:  - 1/249 Test #55: integration_Run_gmx_grompp_re ...................... Passed 0.09 sec - 2/249 Test #123: integration_Run_gmx_grompp_ppy ..................... Passed 0.09 sec - 3/249 Test #126: integration_Run_gmx_grompp_mma ..................... Passed 0.09 sec - 4/249 Test #50: integration_Run_csg_reupdate ....................... Passed 0.09 sec - 5/249 Test #52: integration_Run_csg_reupdate2 ...................... Passed 0.08 sec - 6/249 Test #59: integration_Run_csg_fmatch ......................... Passed 0.08 sec - 7/249 Test #65: integration_Run_csg_map ............................ Passed 0.08 sec - 8/249 Test #67: integration_Run_csg_map_gro ........................ Passed 0.08 sec - 9/249 Test #69: integration_Run_csg_stat ........................... Passed 0.08 sec - 10/249 Test #72: integration_Run_csg_stat_angular ................... Passed 0.07 sec - 11/249 Test #74: integration_Run_csg_stat-imc ....................... Passed 0.07 sec - 12/249 Test #79: integration_Run_csg_imc_solve ...................... Passed 0.07 sec - 13/249 Test #85: integration_Run_csg_stat_imc_multi ................. Passed 0.07 sec - 14/249 Test #89: integration_Run_csg_resample_akima ................. Passed 0.07 sec - 15/249 Test #91: integration_Run_csg_resample_cubic ................. Passed 0.07 sec - 16/249 Test #93: integration_Run_csg_resample_linear ................ Passed 0.07 sec - 17/249 Test #95: integration_Run_csg_resample_cubicfit .............. Passed 0.06 sec - 18/249 Test #97: integration_Run_csg_dump ........................... Passed 0.06 sec - 19/249 Test #99: integration_Run_csg_dump_gro ....................... Passed 0.06 sec - 20/249 Test #101: integration_Run_csg_dump_data ...................... Passed 0.06 sec - 21/249 Test #115: integration_Run_csg_property ....................... Passed 0.06 sec - 22/249 Test #117: integration_Run_csg_property2 ...................... Passed 0.05 sec - 23/249 Test #119: integration_Run_csg_property3 ...................... Passed 0.05 sec - 24/249 Test #121: integration_Run_csg_property4 ...................... Passed 0.05 sec - 25/249 Test #1: integration_votca_propertyHelp ..................... Passed 0.05 sec - 26/249 Test #2: unit_test_calculator ............................... Passed 0.05 sec - 27/249 Test #3: unit_test_constants ................................ Passed 0.04 sec - 28/249 Test #4: unit_test_correlate ................................ Passed 0.04 sec - 29/249 Test #5: unit_test_crosscorrelate ........................... Passed 0.04 sec - 30/249 Test #6: unit_test_cubicspline .............................. Passed 0.04 sec - 31/249 Test #7: unit_test_datacollection ........................... Passed 0.03 sec - 32/249 Test #8: unit_test_edge_base ................................ Passed 0.03 sec - 33/249 Test #9: unit_test_edgecontainer ............................ Passed 0.02 sec - 34/249 Test #10: unit_test_elements ................................. Passed 0.02 sec - 35/249 Test #11: unit_test_filesystem ............................... Passed 0.02 sec - 36/249 Test #12: unit_test_floatingpointcomparison .................. Passed 0.02 sec -test 56 - Start 56: integration_Run_csg_reupdate_gmx + 25/249 Test #72: integration_Run_csg_stat_angular ................... Passed 0.42 sec + 26/249 Test #81: integration_Run_csg_imc_solve_reg .................. Passed 0.40 sec + 27/249 Test #56: integration_Run_csg_reupdate_gmx ................... Passed 0.27 sec + 28/249 Test #97: integration_Run_csg_dump ........................... Passed 0.25 sec + 29/249 Test #117: integration_Run_csg_property2 ...................... Passed 0.21 sec + 30/249 Test #124: integration_Run_csg_boltzmann_ppy .................. Passed 0.18 sec + 31/249 Test #127: integration_Run_csg_boltzmann_mma .................. Passed 0.17 sec + 32/249 Test #6: unit_test_cubicspline .............................. Passed 0.06 sec + 33/249 Test #7: unit_test_datacollection ........................... Passed 0.05 sec +test 10 + Start 10: unit_test_elements -56: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_reupdate "--options" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/settings_re.xml" "--top" "topol.tpr" "--trj" "conf.gro" "--hessian-check" "no" -56: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_reupdate_gmx -56: Test timeout computed to be: 1500 -test 124 - Start 124: integration_Run_csg_boltzmann_ppy +10: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_elements +10: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +10: Test timeout computed to be: 1500 +test 11 + Start 11: unit_test_filesystem -124: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/csg_boltzmann "--top" "topol.tpr" "--cg" "ppy10.xml" "--excl" "excl.txt" -124: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_boltzmann_ppy -124: Test timeout computed to be: 1500 -test 127 - Start 127: integration_Run_csg_boltzmann_mma +11: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_filesystem +11: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +11: Test timeout computed to be: 1500 +test 12 + Start 12: unit_test_floatingpointcomparison -127: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csg_boltzmann/csg_boltzmann "--top" "topol.tpr" "--cg" "mapping.xml" "--excl" "excl.txt" -127: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_boltzmann_mma -127: Test timeout computed to be: 1500 +12: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_floatingpointcomparison +12: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +12: Test timeout computed to be: 1500 +test 13 + Start 13: unit_test_graphalgorithm + +13: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_graphalgorithm +13: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +13: Test timeout computed to be: 1500 +test 14 + Start 14: unit_test_graph_base + +14: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_graph_base +14: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +14: Test timeout computed to be: 1500 +test 15 + Start 15: unit_test_graph_bf_visitor + +15: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_graph_bf_visitor +15: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests +15: Test timeout computed to be: 1500 test 16 Start 16: unit_test_graph_df_visitor @@ -29865,6 +29921,71 @@ 23: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_name 23: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests 23: Test timeout computed to be: 1500 +8:  + 34/249 Test #8: unit_test_edge_base ................................ Passed 0.10 sec + 35/249 Test #121: integration_Run_csg_property4 ...................... Passed 0.30 sec +9: Running 10 test cases... +9: +9: *** No errors detected +9:  + 36/249 Test #9: unit_test_edgecontainer ............................ Passed 0.14 sec +103: Generating 1-4 interactions: fudge = 0.5 +10: Running 2 test cases... +10: +10: *** No errors detected +10:  +12: Running 1 test case... +12: +12: *** No errors detected +12:  +13: Running 5 test cases... +13: is single network 1 +13: EDGE CHECK ************************************** +13: +13: *** No errors detected +13:  +14: Running 8 test cases... +14: +14: *** No errors detected +14:  +15: Running 3 test cases... +15: +15: *** No errors detected +15:  +16: Running 3 test cases... +16: +16: *** No errors detected +16:  +17: Running 3 test cases... +17: +17: *** No errors detected +17:  +18: Running 4 test cases... +18: +18: *** No errors detected +19: Running 2 test cases... +19: +19: *** No errors detected +19:  +20: Running 6 test cases... +20: +20: *** No errors detected +20:  +21: Running 2 test cases... +21: +21: *** No errors detected +21:  + 37/249 Test #119: integration_Run_csg_property3 ...................... Passed 0.32 sec + 38/249 Test #10: unit_test_elements ................................. Passed 0.12 sec + 39/249 Test #12: unit_test_floatingpointcomparison .................. Passed 0.09 sec + 40/249 Test #13: unit_test_graphalgorithm ........................... Passed 0.09 sec + 41/249 Test #14: unit_test_graph_base ............................... Passed 0.08 sec + 42/249 Test #15: unit_test_graph_bf_visitor ......................... Passed 0.08 sec + 43/249 Test #16: unit_test_graph_df_visitor ......................... Passed 0.08 sec + 44/249 Test #17: unit_test_graphdistvisitor ......................... Passed 0.07 sec + 45/249 Test #19: unit_test_graphvisitor ............................. Passed 0.07 sec + 46/249 Test #20: unit_test_histogramnew ............................. Passed 0.07 sec + 47/249 Test #21: unit_test_identity ................................. Passed 0.06 sec test 24 Start 24: unit_test_objectfactory @@ -29949,6 +30070,90 @@ 37: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests/unit_test_NDimVector 37: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/tools/src/tests 37: Test timeout computed to be: 1500 +18:  + 48/249 Test #18: unit_test_graphnode ................................ Passed 0.14 sec +23: Running 2 test cases... +23: +23: *** No errors detected +23:  + 49/249 Test #23: unit_test_name ..................................... Passed 0.12 sec +22: Running 1 test case... +22: +22: *** No errors detected +22:  + 50/249 Test #22: unit_test_linalg ................................... Passed 0.13 sec +11: Running 3 test cases... +11: +11: *** No errors detected +11:  + 51/249 Test #11: unit_test_filesystem ............................... Passed 0.18 sec +24: Running 1 test case... +24: +24: *** No errors detected +24:  +25: Running 6 test cases... +25: +25: *** No errors detected +25:  +26: Running 8 test cases... +26: +26: *** No errors detected +26:  +27: Running 10 test cases... +27: Vertices +27: 2 3 +27: +27: +27: *** No errors detected +27:  +28: Running 9 test cases... +28: 4 +28: 3 +28: 2 +28: 0 +28: +28: *** No errors detected +28:  +29: Running 3 test cases... +29: +29: *** No errors detected +29:  +30: Running 10 test cases... +30: +30: *** No errors detected +30:  +31: Running 3 test cases... +31: +31: *** No errors detected +31:  +32: Running 5 test cases... +32: +32: *** No errors detected +32:  +33: Running 2 test cases... +33: +33: *** No errors detected +33:  +34: Running 1 test case... +34: +34: *** No errors detected +34:  +35: Running 2 test cases... +35: +35: *** No errors detected +35:  + 52/249 Test #24: unit_test_objectfactory ............................ Passed 0.07 sec + 53/249 Test #25: unit_test_optionshandler ........................... Passed 0.07 sec + 54/249 Test #26: unit_test_property ................................. Passed 0.07 sec + 55/249 Test #27: unit_test_reducededge .............................. Passed 0.06 sec + 56/249 Test #28: unit_test_reducedgraph ............................. Passed 0.06 sec + 57/249 Test #29: unit_test_structureparameters ...................... Passed 0.05 sec + 58/249 Test #30: unit_test_table .................................... Passed 0.05 sec + 59/249 Test #31: unit_test_thread ................................... Passed 0.16 sec + 60/249 Test #32: unit_test_tokenizer ................................ Passed 0.15 sec + 61/249 Test #33: unit_test_random ................................... Passed 0.15 sec + 62/249 Test #34: unit_test_akimaspline .............................. Passed 0.15 sec + 63/249 Test #35: unit_test_linspline ................................ Passed 0.14 sec test 38 Start 38: unit_test_eigenio_matrixmarket @@ -30015,191 +30220,6 @@ 48: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_density "--help" 48: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools 48: Test timeout computed to be: 1500 -103: Generating 1-4 interactions: fudge = 0.5 -13: Running 5 test cases... -13: is single network 1 -13: EDGE CHECK ************************************** -13: -13: *** No errors detected -13:  - 37/249 Test #13: unit_test_graphalgorithm ........................... Passed 0.08 sec -15: Running 3 test cases... -15: -15: *** No errors detected -15:  - 38/249 Test #15: unit_test_graph_bf_visitor ......................... Passed 0.07 sec -14: Running 8 test cases... -14: -14: *** No errors detected -14:  -56: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) -56: I have 216 beads in 216 molecules -56: We have CG-CG CG potential -56: Between beads CG-CG -56: With Function form cbspl -56: And 4 parameters to optimize -56: Potential range: -56: rmin = 0.26 [nm] -56: rcutoff = 0.3 [nm] -56: Total number of parameters to optimize: 4 -56: Updating parameters -56: ****************** WARNING ***************** -56: Hessian H NOT a positive definite! -56: This can be a result of poor initial guess or ill-suited CG potential settings or poor CG sampling. -56: ******************************************** -56: -56: However, you want to proceed despite non-positive definite H. -56: Non-positive H does not gurantee relative entropy iterations to converge to minimum. -56: You can turn on Hessian check by setting command line option --hessian-check=true. -56: In this case, alternative update option is steepest descent. -56: AA Ensemble Avg Energy :: 0.328298 -56: CG Ensemble Avg Energy :: 5.31427 -56: Writing CG parameters and potential(s) -56: Writing file: CG-CG.pot.new -56: CG-CG potential's extrapolated core is attractive! -56: Artifically enforcing repulsive core. -56: -56: Writing file: CG-CG.param.new -56: CG-CG potential's extrapolated core is attractive! -56: Artifically enforcing repulsive core. -56: -56: Finished RE update! -124: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) -124: I have 82 beads in 1 molecules -124: I have 10 beads in 1 molecules for the coarsegraining -124: Writing exclusion list for atomistic molecule Protein in coarse grained representation Protein -127: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) -127: I have 53 beads in 1 molecules -127: I have 11 beads in 1 molecules for the coarsegraining -127: Writing exclusion list for atomistic molecule 3-MMA in coarse grained representation 3-MMA -16: Running 3 test cases... -16: -16: *** No errors detected -16:  -17: Running 3 test cases... -17: -17: *** No errors detected -17:  -18: Running 4 test cases... -18: -18: *** No errors detected -18:  -19: Running 2 test cases... -19: -19: *** No errors detected -19:  -20: Running 6 test cases... -20: -20: *** No errors detected -20:  -21: Running 2 test cases... -21: -21: *** No errors detected -21:  -22: Running 1 test case... -22: -22: *** No errors detected -22:  -23: Running 2 test cases... -23: -23: *** No errors detected -23:  -24: Running 1 test case... -24: -24: *** No errors detected -24:  -25: Running 6 test cases... -25: -25: *** No errors detected -25:  -26: Running 8 test cases... -26: -26: *** No errors detected -26:  -27: Running 10 test cases... -27: Vertices -27: 2 3 -27: -27: -27: *** No errors detected -27:  -28: Running 9 test cases... -28: 4 -28: 3 -28: 2 -28: 0 -28: -28: *** No errors detected -28:  -29: Running 3 test cases... -29: -29: *** No errors detected -29:  -30: Running 10 test cases... -30: -30: *** No errors detected -30:  -31: Running 3 test cases... -31: -31: *** No errors detected -31:  -32: Running 5 test cases... -32: -32: *** No errors detected -32:  -33: Running 2 test cases... -33: -33: *** No errors detected -33:  -34: Running 1 test case... -34: -34: *** No errors detected -34:  -35: Running 2 test cases... -35: -35: *** No errors detected -35:  -36: Running 9 test cases... -36: -36: *** No errors detected -36:  -37: Running 1 test case... -37: -37: *** No errors detected -37:  -38: Running 4 test cases... -38: /build/reproducible-path/votca-2024/tools/src/tests/DataFiles -38: -38: *** No errors detected -38:  - 39/249 Test #81: integration_Run_csg_imc_solve_reg .................. Passed 0.13 sec - 40/249 Test #14: unit_test_graph_base ............................... Passed 0.08 sec - 41/249 Test #56: integration_Run_csg_reupdate_gmx ................... Passed 0.06 sec - 42/249 Test #124: integration_Run_csg_boltzmann_ppy .................. Passed 0.06 sec - 43/249 Test #127: integration_Run_csg_boltzmann_mma .................. Passed 0.06 sec - 44/249 Test #16: unit_test_graph_df_visitor ......................... Passed 0.06 sec - 45/249 Test #17: unit_test_graphdistvisitor ......................... Passed 0.05 sec - 46/249 Test #18: unit_test_graphnode ................................ Passed 0.05 sec - 47/249 Test #19: unit_test_graphvisitor ............................. Passed 0.05 sec - 48/249 Test #20: unit_test_histogramnew ............................. Passed 0.05 sec - 49/249 Test #21: unit_test_identity ................................. Passed 0.05 sec - 50/249 Test #22: unit_test_linalg ................................... Passed 0.05 sec - 51/249 Test #23: unit_test_name ..................................... Passed 0.04 sec - 52/249 Test #24: unit_test_objectfactory ............................ Passed 0.04 sec - 53/249 Test #25: unit_test_optionshandler ........................... Passed 0.04 sec - 54/249 Test #26: unit_test_property ................................. Passed 0.04 sec - 55/249 Test #27: unit_test_reducededge .............................. Passed 0.04 sec - 56/249 Test #28: unit_test_reducedgraph ............................. Passed 0.04 sec - 57/249 Test #29: unit_test_structureparameters ...................... Passed 0.04 sec - 58/249 Test #30: unit_test_table .................................... Passed 0.03 sec - 59/249 Test #31: unit_test_thread ................................... Passed 0.03 sec - 60/249 Test #32: unit_test_tokenizer ................................ Passed 0.03 sec - 61/249 Test #33: unit_test_random ................................... Passed 0.03 sec - 62/249 Test #34: unit_test_akimaspline .............................. Passed 0.03 sec - 63/249 Test #35: unit_test_linspline ................................ Passed 0.03 sec - 64/249 Test #36: unit_test_unitconverter ............................ Passed 0.02 sec - 65/249 Test #37: unit_test_NDimVector ............................... Passed 0.02 sec - 66/249 Test #38: unit_test_eigenio_matrixmarket ..................... Passed 0.02 sec test 49 Start 49: integration_csg_imc_solveHelp @@ -30230,156 +30250,88 @@ 57: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.pot.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.pot.new.re_gmx" 57: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_reupdate_gmx 57: Test timeout computed to be: 1500 -test 58 - Start 58: integration_Compare_csg_reupdate_gmx_output2 - -58: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.param.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.param.re_gmx" -58: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_reupdate_gmx -58: Test timeout computed to be: 1500 -test 60 - Start 60: integration_Compare_csg_fmatch_output - -60: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.force" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.force.fmatch" -60: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_fmatch -60: Test timeout computed to be: 1500 -test 66 - Start 66: integration_Compare_csg_map_output - -66: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "frame.dump" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/frame.dump" -66: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_map -66: Test timeout computed to be: 1500 -test 68 - Start 68: integration_Compare_csg_map_gro_output - -68: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "conf_cg.gro" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/conf_cg.gro" -68: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_map_gro -68: Test timeout computed to be: 1500 -test 70 - Start 70: integration_Compare_csg_stat_output1 - -70: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.dist.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.rdf" -70: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat -70: Test timeout computed to be: 1500 -test 71 - Start 71: integration_Compare_csg_stat_output2 - -71: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.force.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.pmf" -71: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat -71: Test timeout computed to be: 1500 -test 73 - Start 73: integration_Compare_csg_stat_angular_output - -73: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG-CG.dist.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.angular" -73: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_angular -73: Test timeout computed to be: 1500 -test 75 - Start 75: integration_Compare_csg_stat-imc_output - -75: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.imc" -75: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc -75: Test timeout computed to be: 1500 -test 76 - Start 76: integration_Compare_csg_stat-imc_output_2 - -76: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.dist.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.dist.imc" -76: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc -76: Test timeout computed to be: 1500 -test 77 - Start 77: integration_Compare_csg_stat-imc_output_3 - -77: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.gmc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.gmc" -77: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc -77: Test timeout computed to be: 1500 -test 78 - Start 78: integration_Compare_csg_stat-imc_output_4 - -78: Test command: /usr/bin/cmake "-E" "compare_files" "CG-CG.idx" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.idx" -78: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc -78: Test timeout computed to be: 1500 -test 80 - Start 80: integration_Compare_csg_imc_solve_output - -80: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/imc/CG-CG.dpot.imc" -80: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve -80: Test timeout computed to be: 1500 -test 82 - Start 82: integration_Compare_csg_imc_solve_reg_output_2 - -82: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "LJ1-LJ1.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ1.dpot.imc" -82: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve_reg -82: Test timeout computed to be: 1500 -test 83 - Start 83: integration_Compare_csg_imc_solve_reg_output_3 - -83: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "LJ1-LJ2.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ2.dpot.imc" -83: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve_reg -83: Test timeout computed to be: 1500 -test 84 - Start 84: integration_Compare_csg_imc_solve_reg_output_4 - -84: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "LJ2-LJ2.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ2-LJ2.dpot.imc" -84: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve_reg -84: Test timeout computed to be: 1500 -test 86 - Start 86: integration_Compare_csg_stat-imc_multi_output - -86: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "all.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.imc" -86: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_imc_multi -86: Test timeout computed to be: 1500 -test 87 - Start 87: integration_Compare_csg_stat-imc_multi_output_2 - -87: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "all.gmc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.gmc" -87: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_imc_multi -87: Test timeout computed to be: 1500 -test 88 - Start 88: integration_Compare_csg_stat-imc_multi_output_3 - -88: Test command: /usr/bin/cmake "-E" "compare_files" "all.idx" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.idx" -88: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_imc_multi -88: Test timeout computed to be: 1500 -test 90 - Start 90: integration_Compare_csg_resample_akima_output - -90: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_akima" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_akima" -90: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample -90: Test timeout computed to be: 1500 -test 92 - Start 92: integration_Compare_csg_resample_cubic_output - -92: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_cubic" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubic" -92: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample -92: Test timeout computed to be: 1500 -test 94 - Start 94: integration_Compare_csg_resample_linear_output - -94: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_linear" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_linear" -94: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample -94: Test timeout computed to be: 1500 -test 96 - Start 96: integration_Compare_csg_resample_cubicfit_output - -96: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_cubicfit" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubicfit" -96: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample -96: Test timeout computed to be: 1500 -test 98 - Start 98: integration_Compare_csg_dump_output - -98: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/methanol-water//csg_dump.out" -98: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump -98: Test timeout computed to be: 1500 -test 100 - Start 100: integration_Compare_csg_dump_gro_output - -100: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_gro.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_gro.out" -100: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_gro -100: Test timeout computed to be: 1500 -test 102 - Start 102: integration_Compare_csg_dump_data_output - -102: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_data.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols_cg/csg_dump_data.out" -102: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_data -102: Test timeout computed to be: 1500 +36: Running 9 test cases... +36: +36: *** No errors detected +36:  + 64/249 Test #36: unit_test_unitconverter ............................ Passed 0.32 sec +37: Running 1 test case... +37: +37: *** No errors detected +37:  + 65/249 Test #37: unit_test_NDimVector ............................... Passed 0.37 sec +103: Number of degrees of freedom in T-Coupling group System is 15.00 +103: +103: There were 2 NOTEs +103: +103: GROMACS reminds you: "And after some more talk we agreed that the wisdom of rats had been grossly overrated, being in fact no greater than that of men" (Joseph Conrad) +103: +103: Setting the LD random seed to -334114369 +103: +103: Generated 330891 of the 330891 non-bonded parameter combinations +103: +103: Generated 330891 of the 330891 1-4 parameter combinations +103: +103: Excluding 2 bonded neighbours molecule type 'SOL' +103: Analysing residue names: +103: There are: 3 Water residues +103: +103: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300 K +103: +103: Calculated rlist for 1x1 atom pair-list as 0.900 nm, buffer size 0.000 nm +103: +103: Set rlist, assuming 4x4 atom pair-list, to 0.900 nm, buffer size 0.000 nm +103: +103: Note that mdrun will redetermine rlist based on the actual pair-list setup +103: +103: This run will generate roughly 0 Mb of data +38: Running 4 test cases... +38: /build/reproducible-path/votca-2024/tools/src/tests/DataFiles +38: +38: *** No errors detected +39: ================================================== +39: ======== VOTCA (http://www.votca.org) ======== +39: ================================================== +39: +39: please submit bugs to https://github.com/votca/votca/issues +39: +39: csg_reupdate, version 2024 (compiled Feb 29 2024, 03:52:32) +39: gromacs, 2024.2-Debian_2024.2_1 (double precision) +39: +39: computes relative entropy update. +39: +39: +39: Allowed options: +39: -h [ --help ] display this help and exit +39: --verbose be loud and noisy +39: --verbose1 be very loud and noisy +39: -v [ --verbose2 ] be extremly loud and noisy +39: --top arg atomistic topology file (only needed for +39: RE update) +39: +39: RE Specific options: +39: --options arg options file for coarse graining +39: --gentable arg (=0) only generate potential tables from given +39: parameters, NO RE update! +39: --interaction arg [OPTIONAL] generate potential tables only +39: for the specified interactions, +39: only valid when 'gentable' is true +39: --param-in-ext arg (=param.cur) Extension of the input parameter tables +39: --param-out-ext arg (=param.new) Extension of the output parameter tables +39: --pot-out-ext arg (=pot.new) Extension of the output potential tables +39: --hessian-check arg (=1) Disable the hessian check (mostly for +39: testing) +39: +39: Threading options: +39: --nt arg (=1) number of threads +39: +39: Trajectory options: +39: --trj arg atomistic trajectory file +39: --begin arg (=0) skip frames before this time (only works +39: for Gromacs files) +39: --first-frame arg (=0) start with this frame +39: --nframes arg process the given number of frames +39: 40: ================================================== 40: ======== VOTCA (http://www.votca.org) ======== 40: ================================================== @@ -30426,49 +30378,6 @@ 40: --first-frame arg (=0) start with this frame 40: --nframes arg process the given number of frames 40: -39: ================================================== -39: ======== VOTCA (http://www.votca.org) ======== -39: ================================================== -39: -39: please submit bugs to https://github.com/votca/votca/issues -39: -39: csg_reupdate, version 2024 (compiled Feb 29 2024, 03:52:32) -39: gromacs, 2024.2-Debian_2024.2_1 (double precision) -39: -39: computes relative entropy update. -39: -39: -39: Allowed options: -39: -h [ --help ] display this help and exit -39: --verbose be loud and noisy -39: --verbose1 be very loud and noisy -39: -v [ --verbose2 ] be extremly loud and noisy -39: --top arg atomistic topology file (only needed for -39: RE update) -39: -39: RE Specific options: -39: --options arg options file for coarse graining -39: --gentable arg (=0) only generate potential tables from given -39: parameters, NO RE update! -39: --interaction arg [OPTIONAL] generate potential tables only -39: for the specified interactions, -39: only valid when 'gentable' is true -39: --param-in-ext arg (=param.cur) Extension of the input parameter tables -39: --param-out-ext arg (=param.new) Extension of the output parameter tables -39: --pot-out-ext arg (=pot.new) Extension of the output potential tables -39: --hessian-check arg (=1) Disable the hessian check (mostly for -39: testing) -39: -39: Threading options: -39: --nt arg (=1) number of threads -39: -39: Trajectory options: -39: --trj arg atomistic trajectory file -39: --begin arg (=0) skip frames before this time (only works -39: for Gromacs files) -39: --first-frame arg (=0) start with this frame -39: --nframes arg process the given number of frames -39: 41: ================================================== 41: ======== VOTCA (http://www.votca.org) ======== 41: ================================================== @@ -30766,36 +30675,281 @@ 49: -g [ --gmcfile ] arg gmc statefile 49: -n [ --idxfile ] arg idx statefile 49: + 66/249 Test #39: integration_csg_reupdateHelp ....................... Passed 0.28 sec + 67/249 Test #40: integration_csg_mapHelp ............................ Passed 0.27 sec + 68/249 Test #41: integration_csg_dumpHelp ........................... Passed 0.26 sec + 69/249 Test #42: integration_csg_propertyHelp ....................... Passed 0.26 sec + 70/249 Test #43: integration_csg_resampleHelp ....................... Passed 0.26 sec + 71/249 Test #44: integration_csg_statHelp ........................... Passed 0.26 sec + 72/249 Test #45: integration_csg_fmatchHelp ......................... Passed 0.25 sec + 73/249 Test #46: integration_csg_gmxtopolHelp ....................... Passed 0.25 sec + 74/249 Test #47: integration_csg_dlptopolHelp ....................... Passed 0.25 sec + 75/249 Test #48: integration_csg_densityHelp ........................ Passed 0.24 sec + 76/249 Test #49: integration_csg_imc_solveHelp ...................... Passed 0.24 sec +test 58 + Start 58: integration_Compare_csg_reupdate_gmx_output2 + +58: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.param.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.param.re_gmx" +58: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_reupdate_gmx +58: Test timeout computed to be: 1500 +test 60 + Start 60: integration_Compare_csg_fmatch_output + +60: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.force" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.force.fmatch" +60: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_fmatch +60: Test timeout computed to be: 1500 +test 66 + Start 66: integration_Compare_csg_map_output + +66: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "frame.dump" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/frame.dump" +66: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_map +66: Test timeout computed to be: 1500 +test 68 + Start 68: integration_Compare_csg_map_gro_output + +68: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "conf_cg.gro" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/conf_cg.gro" +68: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_map_gro +68: Test timeout computed to be: 1500 +test 70 + Start 70: integration_Compare_csg_stat_output1 + +70: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.dist.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.rdf" +70: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat +70: Test timeout computed to be: 1500 +test 71 + Start 71: integration_Compare_csg_stat_output2 + +71: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.force.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.pmf" +71: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat +71: Test timeout computed to be: 1500 +test 73 + Start 73: integration_Compare_csg_stat_angular_output + +73: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG-CG.dist.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.angular" +73: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_angular +73: Test timeout computed to be: 1500 +test 75 + Start 75: integration_Compare_csg_stat-imc_output + +75: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.imc" +75: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc +75: Test timeout computed to be: 1500 +test 76 + Start 76: integration_Compare_csg_stat-imc_output_2 + +76: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.dist.new" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.dist.imc" +76: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc +76: Test timeout computed to be: 1500 +test 77 + Start 77: integration_Compare_csg_stat-imc_output_3 + +77: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.gmc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.gmc" +77: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc +77: Test timeout computed to be: 1500 +test 78 + Start 78: integration_Compare_csg_stat-imc_output_4 + +78: Test command: /usr/bin/cmake "-E" "compare_files" "CG-CG.idx" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.idx" +78: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat-imc +78: Test timeout computed to be: 1500 +test 80 + Start 80: integration_Compare_csg_imc_solve_output + +80: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/imc/CG-CG.dpot.imc" +80: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve +80: Test timeout computed to be: 1500 +test 82 + Start 82: integration_Compare_csg_imc_solve_reg_output_2 + +82: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "LJ1-LJ1.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ1.dpot.imc" +82: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve_reg +82: Test timeout computed to be: 1500 + 77/249 Test #103: integration_Run_gmx_grompp ......................... Passed 1.18 sec +38:  + 78/249 Test #38: unit_test_eigenio_matrixmarket ..................... Passed 0.41 sec 51: Comparing CG-CG.pot.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.pot.re to a tolerance of 5e-05 + 79/249 Test #51: integration_Compare_csg_reupdate_output ............ Passed 0.36 sec 53: Comparing CG-CG.pot.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.pot.new.re to a tolerance of 5e-05 -54: Comparing CG-CG.param.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.param.re to a tolerance of 5e-05 + 80/249 Test #53: integration_Compare_csg_reupdate_output2 ........... Passed 0.24 sec 57: Comparing CG-CG.pot.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.pot.new.re_gmx to a tolerance of 5e-05 + 81/249 Test #57: integration_Compare_csg_reupdate_gmx_output ........ Passed 0.23 sec +54: Comparing CG-CG.param.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.param.re to a tolerance of 5e-05 + 82/249 Test #54: integration_Compare_csg_reupdate_output3 ........... Passed 0.23 sec +61: This should be a number: -0.0413191 +61: This should be a number: -0.854333 +61: +61: Block No1 done! +61: Updating file: CG-CG.force +61: Updating files: CG-CG-CG.pot and: CG-CG-CG.force +61: +61: We are done, thank you very much! 58: Comparing CG-CG.param.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.param.re_gmx to a tolerance of 5e-05 +71: Comparing CG-CG.force.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.pmf to a tolerance of 5e-05 + 83/249 Test #71: integration_Compare_csg_stat_output2 ............... Passed 0.09 sec +test 110 + Start 110: integration_Run_gmx_mdrun + +110: Test command: /usr/bin/gmx_d "mdrun" +110: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +110: Test timeout computed to be: 1500 +test 104 + Start 104: integration_Run_csg_dump_gmx_tpr + +104: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top topol.tpr > csg_dump_tpr.out" +104: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +104: Test timeout computed to be: 1500 +test 106 + Start 106: integration_Run_csg_dump_gmx_tpr_excl + +106: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --excl --top topol.tpr > csg_dump_tpr_excl.out" +106: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +106: Test timeout computed to be: 1500 +test 108 + Start 108: integration_Run_csg_dump_gmx_tpr_cg + +108: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --cg /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/../mapping.xml --top topol.tpr > csg_dump_tpr_cg.out" +108: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +108: Test timeout computed to be: 1500 +test 83 + Start 83: integration_Compare_csg_imc_solve_reg_output_3 + +83: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "LJ1-LJ2.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ2.dpot.imc" +83: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve_reg +83: Test timeout computed to be: 1500 +test 84 + Start 84: integration_Compare_csg_imc_solve_reg_output_4 + +84: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "LJ2-LJ2.dpot.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ2-LJ2.dpot.imc" +84: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_imc_solve_reg +84: Test timeout computed to be: 1500 +test 86 + Start 86: integration_Compare_csg_stat-imc_multi_output + +86: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "all.imc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.imc" +86: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_imc_multi +86: Test timeout computed to be: 1500 +68: Comparing conf_cg.gro and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/conf_cg.gro to a tolerance of 5e-05 60: Comparing CG-CG.force and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.force.fmatch to a tolerance of 5e-05 66: Comparing frame.dump and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/frame.dump to a tolerance of 5e-05 -68: Comparing conf_cg.gro and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/conf_cg.gro to a tolerance of 5e-05 70: Comparing CG-CG.dist.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.rdf to a tolerance of 5e-05 -71: Comparing CG-CG.force.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.pmf to a tolerance of 5e-05 +110: :-) GROMACS - gmx mdrun, 2024.2-Debian_2024.2_1 (double precision) (-: +110: +110: Executable: /usr/bin/gmx_d +110: Data prefix: /usr +110: Working dir: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +110: Command line: +110: gmx_d mdrun +110: +104: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) + 84/249 Test #61: integration_Run_csg_fmatch_3body ................... Passed 1.24 sec + 85/249 Test #58: integration_Compare_csg_reupdate_gmx_output2 ....... Passed 0.20 sec + 86/249 Test #60: integration_Compare_csg_fmatch_output .............. Passed 0.20 sec + 87/249 Test #66: integration_Compare_csg_map_output ................. Passed 0.19 sec + 88/249 Test #68: integration_Compare_csg_map_gro_output ............. Passed 0.19 sec + 89/249 Test #78: integration_Compare_csg_stat-imc_output_4 .......... Passed 0.12 sec +test 62 + Start 62: integration_Compare_csg_fmatch_3body_output1 + +62: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.force" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.force.fmatch_3body" +62: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_fmatch_3body +62: Test timeout computed to be: 1500 +test 63 + Start 63: integration_Compare_csg_fmatch_3body_output2 + +63: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG-CG.force" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.force.fmatch_3body" +63: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_fmatch_3body +63: Test timeout computed to be: 1500 +test 64 + Start 64: integration_Compare_csg_fmatch_3body_output3 + +64: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG-CG.pot" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.pot.fmatch_3body" +64: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_fmatch_3body +64: Test timeout computed to be: 1500 +test 87 + Start 87: integration_Compare_csg_stat-imc_multi_output_2 + +87: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "all.gmc" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.gmc" +87: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_imc_multi +87: Test timeout computed to be: 1500 +test 88 + Start 88: integration_Compare_csg_stat-imc_multi_output_3 + +88: Test command: /usr/bin/cmake "-E" "compare_files" "all.idx" "/build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.idx" +88: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_stat_imc_multi +88: Test timeout computed to be: 1500 +test 90 + Start 90: integration_Compare_csg_resample_akima_output + +90: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_akima" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_akima" +90: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample +90: Test timeout computed to be: 1500 + 90/249 Test #70: integration_Compare_csg_stat_output1 ............... Passed 0.26 sec +80: Comparing CG-CG.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/imc/CG-CG.dpot.imc to a tolerance of 5e-05 +73: Comparing CG-CG-CG.dist.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.angular to a tolerance of 5e-05 75: Comparing CG-CG.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.imc to a tolerance of 5e-05 - 67/249 Test #39: integration_csg_reupdateHelp ....................... Passed 0.08 sec - 68/249 Test #40: integration_csg_mapHelp ............................ Passed 0.08 sec - 69/249 Test #41: integration_csg_dumpHelp ........................... Passed 0.08 sec - 70/249 Test #42: integration_csg_propertyHelp ....................... Passed 0.08 sec - 71/249 Test #43: integration_csg_resampleHelp ....................... Passed 0.08 sec - 72/249 Test #44: integration_csg_statHelp ........................... Passed 0.08 sec - 73/249 Test #45: integration_csg_fmatchHelp ......................... Passed 0.08 sec - 74/249 Test #46: integration_csg_gmxtopolHelp ....................... Passed 0.07 sec - 75/249 Test #47: integration_csg_dlptopolHelp ....................... Passed 0.07 sec - 76/249 Test #48: integration_csg_densityHelp ........................ Passed 0.07 sec - 77/249 Test #49: integration_csg_imc_solveHelp ...................... Passed 0.07 sec - 78/249 Test #51: integration_Compare_csg_reupdate_output ............ Passed 0.06 sec - 79/249 Test #53: integration_Compare_csg_reupdate_output2 ........... Passed 0.06 sec - 80/249 Test #54: integration_Compare_csg_reupdate_output3 ........... Passed 0.06 sec - 81/249 Test #57: integration_Compare_csg_reupdate_gmx_output ........ Passed 0.06 sec - 82/249 Test #60: integration_Compare_csg_fmatch_output .............. Passed 0.06 sec - 83/249 Test #68: integration_Compare_csg_map_gro_output ............. Passed 0.05 sec - 84/249 Test #78: integration_Compare_csg_stat-imc_output_4 .......... Passed 0.04 sec - 85/249 Test #88: integration_Compare_csg_stat-imc_multi_output_3 .... Passed 0.03 sec +82: Comparing LJ1-LJ1.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ1.dpot.imc to a tolerance of 5e-05 +76: Comparing CG-CG.dist.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.dist.imc to a tolerance of 5e-05 +77: Comparing CG-CG.gmc and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.gmc to a tolerance of 5e-05 +108: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) +83: Comparing LJ1-LJ2.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ2.dpot.imc to a tolerance of 5e-05 +106: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) + 91/249 Test #73: integration_Compare_csg_stat_angular_output ........ Passed 0.23 sec + 92/249 Test #75: integration_Compare_csg_stat-imc_output ............ Passed 0.23 sec + 93/249 Test #76: integration_Compare_csg_stat-imc_output_2 .......... Passed 0.22 sec + 94/249 Test #77: integration_Compare_csg_stat-imc_output_3 .......... Passed 0.21 sec + 95/249 Test #80: integration_Compare_csg_imc_solve_output ........... Passed 0.17 sec + 96/249 Test #82: integration_Compare_csg_imc_solve_reg_output_2 ..... Passed 0.17 sec + 97/249 Test #104: integration_Run_csg_dump_gmx_tpr ................... Passed 0.14 sec + 98/249 Test #108: integration_Run_csg_dump_gmx_tpr_cg ................ Passed 0.12 sec + 99/249 Test #83: integration_Compare_csg_imc_solve_reg_output_3 ..... Passed 0.11 sec +test 92 + Start 92: integration_Compare_csg_resample_cubic_output + +92: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_cubic" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubic" +92: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample +92: Test timeout computed to be: 1500 +test 94 + Start 94: integration_Compare_csg_resample_linear_output + +94: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_linear" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_linear" +94: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample +94: Test timeout computed to be: 1500 +test 96 + Start 96: integration_Compare_csg_resample_cubicfit_output + +96: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "table_cubicfit" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubicfit" +96: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_resample +96: Test timeout computed to be: 1500 +test 98 + Start 98: integration_Compare_csg_dump_output + +98: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/methanol-water//csg_dump.out" +98: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump +98: Test timeout computed to be: 1500 +test 100 + Start 100: integration_Compare_csg_dump_gro_output + +100: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_gro.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_gro.out" +100: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_gro +100: Test timeout computed to be: 1500 +test 102 + Start 102: integration_Compare_csg_dump_data_output + +102: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_data.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols_cg/csg_dump_data.out" +102: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_dump_data +102: Test timeout computed to be: 1500 +test 105 + Start 105: integration_Compare_csg_dump_gmx_tpr_output + +105: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_tpr.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_tpr.out" +105: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +105: Test timeout computed to be: 1500 +test 109 + Start 109: integration_Compare_csg_dump_gmx_tpr_cg_output + +109: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_tpr_cg.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_tpr_cg.out" +109: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +109: Test timeout computed to be: 1500 test 116 Start 116: integration_Compare_csg_property_output @@ -30808,6 +30962,39 @@ 118: Test command: /usr/bin/cmake "-E" "compare_files" "csg_property.out2" "/build/reproducible-path/votca-2024/csg/src/tools/references/csg_property/csg_property.out2" 118: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_property 118: Test timeout computed to be: 1500 +84: Comparing LJ2-LJ2.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ2-LJ2.dpot.imc to a tolerance of 5e-05 +86: Comparing all.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.imc to a tolerance of 5e-05 +90: Comparing table_akima and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_akima to a tolerance of 5e-05 +62: Comparing CG-CG.force and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.force.fmatch_3body to a tolerance of 5e-05 +110: Compiled SIMD is SSE4.1, but AVX_256 might be faster (see log). +110: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) +110: +110: NOTE: Parallelization is limited by the small number of atoms, +110: only starting 1 thread-MPI ranks. +110: You can use the -nt and/or -ntmpi option to optimize the number of threads. +110: +110: Using 1 MPI thread +110: Using 8 OpenMP threads +110: +63: Comparing CG-CG-CG.force and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.force.fmatch_3body to a tolerance of 5e-05 +64: Comparing CG-CG-CG.pot and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.pot.fmatch_3body to a tolerance of 5e-05 +94: Comparing table_linear and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_linear to a tolerance of 5e-05 +100/249 Test #106: integration_Run_csg_dump_gmx_tpr_excl .............. Passed 0.25 sec +101/249 Test #84: integration_Compare_csg_imc_solve_reg_output_4 ..... Passed 0.22 sec +102/249 Test #86: integration_Compare_csg_stat-imc_multi_output ...... Passed 0.22 sec +103/249 Test #62: integration_Compare_csg_fmatch_3body_output1 ....... Passed 0.19 sec +104/249 Test #88: integration_Compare_csg_stat-imc_multi_output_3 .... Passed 0.14 sec +105/249 Test #90: integration_Compare_csg_resample_akima_output ...... Passed 0.14 sec +106/249 Test #98: integration_Compare_csg_dump_output ................ Passed 0.10 sec +107/249 Test #100: integration_Compare_csg_dump_gro_output ............ Passed 0.10 sec +108/249 Test #102: integration_Compare_csg_dump_data_output ........... Passed 0.09 sec +109/249 Test #105: integration_Compare_csg_dump_gmx_tpr_output ........ Passed 0.07 sec +test 107 + Start 107: integration_Compare_csg_dump_gmx_tpr_excl_output + +107: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_tpr_excl.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_tpr_excl.out" +107: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +107: Test timeout computed to be: 1500 test 120 Start 120: integration_Compare_csg_property_output3 @@ -30862,6 +31049,66 @@ 133: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps/radii/csg_radii "--help" 133: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/csgapps 133: Test timeout computed to be: 1500 +110/249 Test #63: integration_Compare_csg_fmatch_3body_output2 ....... Passed 0.33 sec +96: Comparing table_cubicfit and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubicfit to a tolerance of 5e-05 +92: Comparing table_cubic and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubic to a tolerance of 5e-05 +129: ================================================== +129: ======== VOTCA (http://www.votca.org) ======== +129: ================================================== +129: +129: please submit bugs to https://github.com/votca/votca/issues +129: +129: fluctuations, version 2024 (compiled Feb 29 2024, 03:52:32) +129: gromacs, 2024.2-Debian_2024.2_1 (double precision) +129: +129: calculate density fluctuations in subvolumes of the simulation box.Subolumes can be either cubic slabs in dimensions (x|y|z) or sphericalslabs with respect to either the center of box or a reference molecule +129: +129: +129: Allowed options: +129: -h [ --help ] display this help and exit +129: --verbose be loud and noisy +129: --verbose1 be very loud and noisy +129: -v [ --verbose2 ] be extremly loud and noisy +129: --top arg atomistic topology file +129: +129: Fluctuation options: +129: --filter arg (=*) filter molecule names +129: --rmax arg maximal distance to be considered +129: --rmin arg (=0) minimal distance to be considered +129: --refmol arg Reference molecule +129: --nbin arg (=100) Number of bins +129: --geometry arg (sphere|x|y|z) Take radial or x, y, z +129: slabs from rmin to rmax +129: --outfile arg (=fluctuations.dat) Output file +129: +129: Mapping options: +129: --cg arg coarse graining mapping and bond +129: definitions (xml-file) +129: --map-ignore arg list of molecules to ignore separated by +129: ; +129: --no-map disable mapping and act on original +129: trajectory +129: +129: Trajectory options: +129: --trj arg atomistic trajectory file +129: --begin arg (=0) skip frames before this time (only works +129: for Gromacs files) +129: --first-frame arg (=0) start with this frame +129: --nframes arg process the given number of frames +129: +111/249 Test #64: integration_Compare_csg_fmatch_3body_output3 ....... Passed 0.32 sec +112/249 Test #92: integration_Compare_csg_resample_cubic_output ...... Passed 0.27 sec +113/249 Test #94: integration_Compare_csg_resample_linear_output ..... Passed 0.27 sec +114/249 Test #96: integration_Compare_csg_resample_cubicfit_output ... Passed 0.26 sec +115/249 Test #109: integration_Compare_csg_dump_gmx_tpr_cg_output ..... Passed 0.21 sec +116/249 Test #116: integration_Compare_csg_property_output ............ Passed 0.20 sec +117/249 Test #118: integration_Compare_csg_property_output2 ........... Passed 0.18 sec +118/249 Test #107: integration_Compare_csg_dump_gmx_tpr_excl_output ... Passed 0.15 sec +119/249 Test #120: integration_Compare_csg_property_output3 ........... Passed 0.14 sec +120/249 Test #122: integration_Compare_csg_property_output4 ........... Passed 0.13 sec +121/249 Test #125: Compare_csg_boltzmann_output_ppy ................... Passed 0.11 sec +122/249 Test #128: Compare_csg_boltzmann_output_mma ................... Passed 0.08 sec +123/249 Test #129: fluctuationsHelp ................................... Passed 0.08 sec test 134 Start 134: sphericalorderHelp @@ -30910,21 +31157,42 @@ 141: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_beadmotif_connector 141: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests 141: Test timeout computed to be: 1500 - 86/249 Test #58: integration_Compare_csg_reupdate_gmx_output2 ....... Passed 0.10 sec - 87/249 Test #66: integration_Compare_csg_map_output ................. Passed 0.10 sec - 88/249 Test #75: integration_Compare_csg_stat-imc_output ............ Passed 0.09 sec -77: Comparing CG-CG.gmc and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.gmc to a tolerance of 5e-05 -73: Comparing CG-CG-CG.dist.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.angular to a tolerance of 5e-05 -76: Comparing CG-CG.dist.new and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.dist.imc to a tolerance of 5e-05 -80: Comparing CG-CG.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/imc/CG-CG.dpot.imc to a tolerance of 5e-05 -83: Comparing LJ1-LJ2.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ2.dpot.imc to a tolerance of 5e-05 -84: Comparing LJ2-LJ2.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ2-LJ2.dpot.imc to a tolerance of 5e-05 -86: Comparing all.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.imc to a tolerance of 5e-05 -82: Comparing LJ1-LJ1.dpot.imc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/LJ1-LJ1.dpot.imc to a tolerance of 5e-05 -94: Comparing table_linear and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_linear to a tolerance of 5e-05 -92: Comparing table_cubic and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubic to a tolerance of 5e-05 -90: Comparing table_akima and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_akima to a tolerance of 5e-05 -96: Comparing table_cubicfit and /build/reproducible-path/votca-2024/csg/src/tools/references/csg_resample/table_cubicfit to a tolerance of 5e-05 +test 142 + Start 142: unit_test_beadstructure_base + +142: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_beadstructure_base +142: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +142: Test timeout computed to be: 1500 +test 143 + Start 143: unit_test_beadstructure_algorithms + +143: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_beadstructure_algorithms +143: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +143: Test timeout computed to be: 1500 +test 144 + Start 144: unit_test_bondedstatistics + +144: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_bondedstatistics +144: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +144: Test timeout computed to be: 1500 +test 145 + Start 145: unit_test_csg_topology + +145: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_csg_topology +145: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +145: Test timeout computed to be: 1500 +test 146 + Start 146: unit_test_interaction + +146: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_interaction +146: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +146: Test timeout computed to be: 1500 +test 147 + Start 147: unit_test_lammpsdatareader + +147: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_lammpsdatareader +147: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +147: Test timeout computed to be: 1500 130: ================================================== 130: ======== VOTCA (http://www.votca.org) ======== 130: ================================================== @@ -30993,6 +31261,38 @@ 131: --comment arg store a comment in the output table 131: --help produce this help message 131: +133: ================================================== +133: ======== VOTCA (http://www.votca.org) ======== +133: ================================================== +133: +133: please submit bugs to https://github.com/votca/votca/issues +133: +133: radii, version 2024 (compiled Feb 29 2024, 03:52:32) +133: gromacs, 2024.2-Debian_2024.2_1 (double precision) +133: +133: calculate gyration- and hydrodynamic radius for a specific molecule or molecule type +133: +133: +133: Allowed options: +133: -h [ --help ] display this help and exit +133: --verbose be loud and noisy +133: --verbose1 be very loud and noisy +133: -v [ --verbose2 ] be extremly loud and noisy +133: --top arg atomistic topology file +133: +133: Molecule filter options: +133: --mol arg molecule number +133: --molname arg (=*) pattern for molecule name +133: +133: Trajectory options: +133: --trj arg atomistic trajectory file +133: --begin arg (=0) skip frames before this time (only works for +133: Gromacs files) +133: --first-frame arg (=0) start with this frame +133: --nframes arg process the given number of frames +133: +110: starting mdrun 'Flex water' +110: 1 steps, 0.0 ps. 132: ================================================== 132: ======== VOTCA (http://www.votca.org) ======== 132: ================================================== @@ -31040,276 +31340,7 @@ 132: --first-frame arg (=0) start with this frame 132: --nframes arg process the given number of frames 132: - 89/249 Test #70: integration_Compare_csg_stat_output1 ............... Passed 0.10 sec - 90/249 Test #71: integration_Compare_csg_stat_output2 ............... Passed 0.10 sec - 91/249 Test #73: integration_Compare_csg_stat_angular_output ........ Passed 0.09 sec - 92/249 Test #76: integration_Compare_csg_stat-imc_output_2 .......... Passed 0.09 sec - 93/249 Test #77: integration_Compare_csg_stat-imc_output_3 .......... Passed 0.09 sec - 94/249 Test #80: integration_Compare_csg_imc_solve_output ........... Passed 0.09 sec - 95/249 Test #82: integration_Compare_csg_imc_solve_reg_output_2 ..... Passed 0.08 sec - 96/249 Test #83: integration_Compare_csg_imc_solve_reg_output_3 ..... Passed 0.08 sec - 97/249 Test #84: integration_Compare_csg_imc_solve_reg_output_4 ..... Passed 0.08 sec - 98/249 Test #86: integration_Compare_csg_stat-imc_multi_output ...... Passed 0.08 sec - 99/249 Test #90: integration_Compare_csg_resample_akima_output ...... Passed 0.07 sec -100/249 Test #92: integration_Compare_csg_resample_cubic_output ...... Passed 0.07 sec -101/249 Test #94: integration_Compare_csg_resample_linear_output ..... Passed 0.07 sec -102/249 Test #98: integration_Compare_csg_dump_output ................ Passed 0.06 sec -103/249 Test #100: integration_Compare_csg_dump_gro_output ............ Passed 0.06 sec -104/249 Test #102: integration_Compare_csg_dump_data_output ........... Passed 0.06 sec -105/249 Test #116: integration_Compare_csg_property_output ............ Passed 0.05 sec -106/249 Test #118: integration_Compare_csg_property_output2 ........... Passed 0.04 sec -107/249 Test #120: integration_Compare_csg_property_output3 ........... Passed 0.04 sec -108/249 Test #122: integration_Compare_csg_property_output4 ........... Passed 0.04 sec -109/249 Test #125: Compare_csg_boltzmann_output_ppy ................... Passed 0.04 sec -110/249 Test #128: Compare_csg_boltzmann_output_mma ................... Passed 0.04 sec -111/249 Test #130: orientcorrHelp ..................................... Passed 0.03 sec -112/249 Test #131: part_distHelp ...................................... Passed 0.03 sec -113/249 Test #132: partial_rdfHelp .................................... Passed 0.03 sec -test 142 - Start 142: unit_test_beadstructure_base - -142: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_beadstructure_base -142: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -142: Test timeout computed to be: 1500 -test 143 - Start 143: unit_test_beadstructure_algorithms - -143: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_beadstructure_algorithms -143: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -143: Test timeout computed to be: 1500 -test 144 - Start 144: unit_test_bondedstatistics - -144: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_bondedstatistics -144: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -144: Test timeout computed to be: 1500 -test 145 - Start 145: unit_test_csg_topology - -145: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_csg_topology -145: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -145: Test timeout computed to be: 1500 -test 146 - Start 146: unit_test_interaction - -146: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_interaction -146: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -146: Test timeout computed to be: 1500 -test 147 - Start 147: unit_test_lammpsdatareader - -147: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_lammpsdatareader -147: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -147: Test timeout computed to be: 1500 -test 148 - Start 148: unit_test_lammpsdumpreaderwriter - -148: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_lammpsdumpreaderwriter -148: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -148: Test timeout computed to be: 1500 -test 149 - Start 149: unit_test_nblist_3body - -149: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_nblist_3body -149: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -149: Test timeout computed to be: 1500 -test 150 - Start 150: unit_test_nblistgrid_3body - -150: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_nblistgrid_3body -150: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -150: Test timeout computed to be: 1500 -test 151 - Start 151: unit_test_boundarycondition - -151: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_boundarycondition -151: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -151: Test timeout computed to be: 1500 -test 152 - Start 152: unit_test_pdbreader - -152: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_pdbreader -152: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -152: Test timeout computed to be: 1500 -test 153 - Start 153: unit_test_tabulatedpotential - -153: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_tabulatedpotential -153: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -153: Test timeout computed to be: 1500 -test 154 - Start 154: unit_test_triplelist - -154: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_triplelist -154: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests -154: Test timeout computed to be: 1500 -test 155 - Start 155: unit_iie.py - -155: Test command: /usr/bin/python3 "-m" "pytest" "-q" "/build/reproducible-path/votca-2024/csg/share/scripts/inverse/iie.py" -155: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/scripts/inverse -155: Test timeout computed to be: 1500 -test 156 - Start 156: unit_check_csg_xml.py - -156: Test command: /usr/bin/python3 "-m" "pytest" "-q" "/build/reproducible-path/votca-2024/csg/share/scripts/inverse/check_csg_xml.py" -156: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/scripts/inverse -156: Test timeout computed to be: 1500 -test 157 - Start 157: template_serialHelp - -157: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/template_serial "--help" -157: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template -157: Test timeout computed to be: 1500 -test 158 - Start 158: template_threadedHelp - -158: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/template_threaded "--help" -158: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template -158: Test timeout computed to be: 1500 -test 159 - Start 159: integration_xtp_mapHelp - -159: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_map "--help" -159: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools -159: Test timeout computed to be: 1500 -test 160 - Start 160: integration_xtp_runHelp - -160: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_run "--help" -160: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools -160: Test timeout computed to be: 1500 -test 161 - Start 161: integration_xtp_toolsHelp - -161: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_tools "--help" -161: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools -161: Test timeout computed to be: 1500 -test 162 - Start 162: integration_xtp_parallelHelp - -162: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_parallel "--help" -162: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools -162: Test timeout computed to be: 1500 -test 163 - Start 163: unit_test_adiis - -163: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_adiis -163: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_adiis -163: Test timeout computed to be: 1500 -test 164 - Start 164: unit_test_aobasis - -164: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aobasis -164: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aobasis -164: Test timeout computed to be: 1500 -test 165 - Start 165: unit_test_aomatrix - -165: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aomatrix -165: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aomatrix -165: Test timeout computed to be: 1500 -test 166 - Start 166: unit_test_aomatrix3d - -166: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aomatrix3d -166: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aomatrix3d -166: Test timeout computed to be: 1500 -test 167 - Start 167: unit_test_aotransform - -167: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aotransform -167: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aotransform -167: Test timeout computed to be: 1500 -test 168 - Start 168: unit_test_aopotential - -168: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aopotential -168: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aopotential -168: Test timeout computed to be: 1500 -test 169 - Start 169: unit_test_atom - -169: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_atom -169: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_atom -169: Test timeout computed to be: 1500 -114/249 Test #96: integration_Compare_csg_resample_cubicfit_output ... Passed 0.12 sec -129: ================================================== -129: ======== VOTCA (http://www.votca.org) ======== -129: ================================================== -129: -129: please submit bugs to https://github.com/votca/votca/issues -129: -129: fluctuations, version 2024 (compiled Feb 29 2024, 03:52:32) -129: gromacs, 2024.2-Debian_2024.2_1 (double precision) -129: -129: calculate density fluctuations in subvolumes of the simulation box.Subolumes can be either cubic slabs in dimensions (x|y|z) or sphericalslabs with respect to either the center of box or a reference molecule -129: -129: -129: Allowed options: -129: -h [ --help ] display this help and exit -129: --verbose be loud and noisy -129: --verbose1 be very loud and noisy -129: -v [ --verbose2 ] be extremly loud and noisy -129: --top arg atomistic topology file -129: -129: Fluctuation options: -129: --filter arg (=*) filter molecule names -129: --rmax arg maximal distance to be considered -129: --rmin arg (=0) minimal distance to be considered -129: --refmol arg Reference molecule -129: --nbin arg (=100) Number of bins -129: --geometry arg (sphere|x|y|z) Take radial or x, y, z -129: slabs from rmin to rmax -129: --outfile arg (=fluctuations.dat) Output file -129: -129: Mapping options: -129: --cg arg coarse graining mapping and bond -129: definitions (xml-file) -129: --map-ignore arg list of molecules to ignore separated by -129: ; -129: --no-map disable mapping and act on original -129: trajectory -129: -129: Trajectory options: -129: --trj arg atomistic trajectory file -129: --begin arg (=0) skip frames before this time (only works -129: for Gromacs files) -129: --first-frame arg (=0) start with this frame -129: --nframes arg process the given number of frames -129: -115/249 Test #129: fluctuationsHelp ................................... Passed 0.09 sec -133: ================================================== -133: ======== VOTCA (http://www.votca.org) ======== -133: ================================================== -133: -133: please submit bugs to https://github.com/votca/votca/issues -133: -133: radii, version 2024 (compiled Feb 29 2024, 03:52:32) -133: gromacs, 2024.2-Debian_2024.2_1 (double precision) -133: -133: calculate gyration- and hydrodynamic radius for a specific molecule or molecule type -133: -133: -133: Allowed options: -133: -h [ --help ] display this help and exit -133: --verbose be loud and noisy -133: --verbose1 be very loud and noisy -133: -v [ --verbose2 ] be extremly loud and noisy -133: --top arg atomistic topology file -133: -133: Molecule filter options: -133: --mol arg molecule number -133: --molname arg (=*) pattern for molecule name -133: -133: Trajectory options: -133: --trj arg atomistic trajectory file -133: --begin arg (=0) skip frames before this time (only works for -133: Gromacs files) -133: --first-frame arg (=0) start with this frame -133: --nframes arg process the given number of frames -133: -116/249 Test #133: radiiHelp .......................................... Passed 0.08 sec +87: Comparing all.gmc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.gmc to a tolerance of 5e-05 134: ================================================== 134: ======== VOTCA (http://www.votca.org) ======== 134: ================================================== @@ -31352,32 +31383,6 @@ 134: --first-frame arg (=0) start with this frame 134: --nframes arg process the given number of frames 134: -117/249 Test #134: sphericalorderHelp ................................. Passed 0.08 sec -103: Number of degrees of freedom in T-Coupling group System is 15.00 -103: -103: There were 2 NOTEs -103: -103: GROMACS reminds you: "Would You Like to Be the Monster Tonight ?" (Captain Beefheart) -103: -103: Setting the LD random seed to -33751757 -103: -103: Generated 330891 of the 330891 non-bonded parameter combinations -103: -103: Generated 330891 of the 330891 1-4 parameter combinations -103: -103: Excluding 2 bonded neighbours molecule type 'SOL' -103: Analysing residue names: -103: There are: 3 Water residues -103: -103: Determining Verlet buffer for a tolerance of 0.005 kJ/mol/ps at 300 K -103: -103: Calculated rlist for 1x1 atom pair-list as 0.900 nm, buffer size 0.000 nm -103: -103: Set rlist, assuming 4x4 atom pair-list, to 0.900 nm, buffer size 0.000 nm -103: -103: Note that mdrun will redetermine rlist based on the actual pair-list setup -103: -103: This run will generate roughly 0 Mb of data 135: ================================================== 135: ======== VOTCA (http://www.votca.org) ======== 135: ================================================== @@ -31408,60 +31413,143 @@ 135: --first-frame arg (=0) start with this frame 135: --nframes arg process the given number of frames 135: -118/249 Test #135: traj_forceHelp ..................................... Passed 0.08 sec -137: Running 1 test case... -137: -137: *** No errors detected -137:  136: Running 3 test cases... 136: 136: *** No errors detected 136:  -141: Running 3 test cases... -141: -141: *** No errors detected -141:  +137: Running 1 test case... +137: +137: *** No errors detected +137:  138: Running 2 test cases... 138: 138: *** No errors detected 138:  -87: Comparing all.gmc and /build/reproducible-path/votca-2024/csg/src/tools/references/LJ1-LJ2/smaller_system/all.gmc to a tolerance of 5e-05 -140: Running 4 test cases... -140: -140: *** No errors detected -140:  139: Running 4 test cases... 139: 139: *** No errors detected 139:  +140: Running 4 test cases... +140: +140: *** No errors detected +140:  +141: Running 3 test cases... +141: +141: *** No errors detected +141:  142: Running 10 test cases... 142: 142: *** No errors detected 142:  -143: Running 1 test case... -143: Calling break into structures -143: Bead Count 1 3 -143: Bead Count 2 5 -143: -143: *** No errors detected -143:  144: Running 3 test cases... 144: 144: *** No errors detected +124/249 Test #87: integration_Compare_csg_stat-imc_multi_output_2 .... Passed 0.51 sec +125/249 Test #130: orientcorrHelp ..................................... Passed 0.25 sec +126/249 Test #131: part_distHelp ...................................... Passed 0.24 sec +127/249 Test #132: partial_rdfHelp .................................... Passed 0.23 sec +128/249 Test #133: radiiHelp .......................................... Passed 0.21 sec +129/249 Test #134: sphericalorderHelp ................................. Passed 0.20 sec +130/249 Test #135: traj_forceHelp ..................................... Passed 0.17 sec +131/249 Test #136: unit_test_bead ..................................... Passed 0.16 sec +132/249 Test #137: unit_test_beadtriple ............................... Passed 0.15 sec +133/249 Test #138: unit_test_basebead ................................. Passed 0.14 sec +134/249 Test #139: unit_test_beadmotif_algorithms ..................... Passed 0.13 sec +135/249 Test #140: unit_test_beadmotif_base ........................... Passed 0.12 sec +136/249 Test #141: unit_test_beadmotif_connector ...................... Passed 0.11 sec +137/249 Test #142: unit_test_beadstructure_base ....................... Passed 0.10 sec +test 148 + Start 148: unit_test_lammpsdumpreaderwriter + +148: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_lammpsdumpreaderwriter +148: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +148: Test timeout computed to be: 1500 +test 149 + Start 149: unit_test_nblist_3body + +149: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_nblist_3body +149: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +149: Test timeout computed to be: 1500 +test 150 + Start 150: unit_test_nblistgrid_3body + +150: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_nblistgrid_3body +150: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +150: Test timeout computed to be: 1500 +test 151 + Start 151: unit_test_boundarycondition + +151: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_boundarycondition +151: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +151: Test timeout computed to be: 1500 +test 152 + Start 152: unit_test_pdbreader + +152: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_pdbreader +152: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +152: Test timeout computed to be: 1500 +test 153 + Start 153: unit_test_tabulatedpotential + +153: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_tabulatedpotential +153: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +153: Test timeout computed to be: 1500 +test 154 + Start 154: unit_test_triplelist + +154: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests/unit_test_triplelist +154: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tests +154: Test timeout computed to be: 1500 +test 155 + Start 155: unit_iie.py + +155: Test command: /usr/bin/python3 "-m" "pytest" "-q" "/build/reproducible-path/votca-2024/csg/share/scripts/inverse/iie.py" +155: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/scripts/inverse +155: Test timeout computed to be: 1500 +test 156 + Start 156: unit_check_csg_xml.py + +156: Test command: /usr/bin/python3 "-m" "pytest" "-q" "/build/reproducible-path/votca-2024/csg/share/scripts/inverse/check_csg_xml.py" +156: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/scripts/inverse +156: Test timeout computed to be: 1500 +test 157 + Start 157: template_serialHelp + +157: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/template_serial "--help" +157: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template +157: Test timeout computed to be: 1500 +test 158 + Start 158: template_threadedHelp + +158: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template/template_threaded "--help" +158: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/share/template +158: Test timeout computed to be: 1500 +test 159 + Start 159: integration_xtp_mapHelp + +159: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_map "--help" +159: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools +159: Test timeout computed to be: 1500 +test 160 + Start 160: integration_xtp_runHelp + +160: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_run "--help" +160: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools +160: Test timeout computed to be: 1500 +test 161 + Start 161: integration_xtp_toolsHelp + +161: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_tools "--help" +161: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools +161: Test timeout computed to be: 1500 144:  +138/249 Test #144: unit_test_bondedstatistics ......................... Passed 0.28 sec 145: Running 6 test cases... 145: interaction name :bond 145: interaction name :bond 145: 145: *** No errors detected 145:  -146: Running 5 test cases... -146: molecule 1:large 1:index 1 -146: molecule 1:medium 1:index 1 -146: molecule 1:small 1:index 1 -146: -146: *** No errors detected -146:  147: Running 3 test cases... 147: 147: WARNING: The votca lammps data reader is only able to read lammps files formatted in the following styles: @@ -31545,6 +31633,20 @@ 147: 147: *** No errors detected 147:  +143: Running 1 test case... +143: Calling break into structures +143: Bead Count 1 3 +143: Bead Count 2 5 +143: +143: *** No errors detected +143:  +146: Running 5 test cases... +146: molecule 1:large 1:index 1 +146: molecule 1:medium 1:index 1 +146: molecule 1:small 1:index 1 +146: +146: *** No errors detected +146:  148: Running 2 test cases... 148: Reading frame, timestep 1 148: Reading frame, timestep 1 @@ -31649,6 +31751,147 @@ 157: --first-frame arg (=0) start with this frame 157: --nframes arg process the given number of frames 157: +139/249 Test #143: unit_test_beadstructure_algorithms ................. Passed 0.29 sec +140/249 Test #145: unit_test_csg_topology ............................. Passed 0.27 sec +141/249 Test #146: unit_test_interaction .............................. Passed 0.25 sec +142/249 Test #147: unit_test_lammpsdatareader ......................... Passed 0.24 sec +143/249 Test #148: unit_test_lammpsdumpreaderwriter ................... Passed 0.21 sec +144/249 Test #149: unit_test_nblist_3body ............................. Passed 0.19 sec +145/249 Test #150: unit_test_nblistgrid_3body ......................... Passed 0.18 sec +146/249 Test #151: unit_test_boundarycondition ........................ Passed 0.18 sec +147/249 Test #152: unit_test_pdbreader ................................ Passed 0.16 sec +148/249 Test #154: unit_test_triplelist ............................... Passed 0.14 sec +149/249 Test #157: template_serialHelp ................................ Passed 0.09 sec +test 162 + Start 162: integration_xtp_parallelHelp + +162: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools/xtp_parallel "--help" +162: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tools +162: Test timeout computed to be: 1500 +test 163 + Start 163: unit_test_adiis + +163: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_adiis +163: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_adiis +163: Test timeout computed to be: 1500 +test 164 + Start 164: unit_test_aobasis + +164: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aobasis +164: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aobasis +164: Test timeout computed to be: 1500 +test 165 + Start 165: unit_test_aomatrix + +165: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aomatrix +165: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aomatrix +165: Test timeout computed to be: 1500 +test 166 + Start 166: unit_test_aomatrix3d + +166: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aomatrix3d +166: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aomatrix3d +166: Test timeout computed to be: 1500 +test 167 + Start 167: unit_test_aotransform + +167: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aotransform +167: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aotransform +167: Test timeout computed to be: 1500 +test 168 + Start 168: unit_test_aopotential + +168: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aopotential +168: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aopotential +168: Test timeout computed to be: 1500 +test 169 + Start 169: unit_test_atom + +169: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_atom +169: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_atom +169: Test timeout computed to be: 1500 +test 170 + Start 170: unit_test_qmatom + +170: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_qmatom +170: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_qmatom +170: Test timeout computed to be: 1500 +test 171 + Start 171: unit_test_polarsegment + +171: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_polarsegment +171: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_polarsegment +171: Test timeout computed to be: 1500 +test 172 + Start 172: unit_test_qmmolecule + +172: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_qmmolecule +172: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_qmmolecule +172: Test timeout computed to be: 1500 +test 173 + Start 173: unit_test_basisset + +173: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_basisset +173: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_basisset +173: Test timeout computed to be: 1500 +161: ================================================== +161: ======== VOTCA (http://www.votca.org) ======== +161: ================================================== +161: +161: please submit bugs to https://github.com/votca/votca/issues +161: +161: xtp_tools, version 2024 (compiled Feb 29 2024, 03:52:32) +161: +161: Runs excitation/charge transport tools +161: +161: +161: +161: Allowed options: +161: -h [ --help ] display this help and exit +161: --verbose be loud and noisy +161: --verbose1 be very loud and noisy +161: -v [ --verbose2 ] be extremly loud and noisy +161: -o [ --options ] arg Tool user options. +161: -t [ --nthreads ] arg (=1) number of threads to create +161: -e [ --execute ] arg Name of Tool to run +161: -l [ --list ] Lists all available Tools +161: -d [ --description ] arg Short description of a Tools +161: -c [ --cmdoptions ] arg Modify options via command line by e.g. '-c +161: xmltag.subtag=value'. Use whitespace to separate +161: multiple options +161: -p [ --printoptions ] arg Prints xml options of a Tool +161: +160: ================================================== +160: ======== VOTCA (http://www.votca.org) ======== +160: ================================================== +160: +160: please submit bugs to https://github.com/votca/votca/issues +160: +160: xtp_run, version 2024 (compiled Feb 29 2024, 03:52:32) +160: +160: Runs excitation/charge transport calculators +160: +160: +160: +160: Allowed options: +160: -h [ --help ] display this help and exit +160: --verbose be loud and noisy +160: --verbose1 be very loud and noisy +160: -v [ --verbose2 ] be extremly loud and noisy +160: -o [ --options ] arg Calculator user options. +160: -t [ --nthreads ] arg (=1) number of threads to create +160: -e [ --execute ] arg Name of Calculator to run +160: -l [ --list ] Lists all available Calculators +160: -d [ --description ] arg Short description of a Calculators +160: -c [ --cmdoptions ] arg Modify options via command line by e.g. '-c +160: xmltag.subtag=value'. Use whitespace to +160: separate multiple options +160: -p [ --printoptions ] arg Prints xml options of a Calculator +160: -f [ --file ] arg hdf5 state file, *.hdf5 +160: -i [ --first-frame ] arg (=0) start from this frame +160: -n [ --nframes ] arg (=1) number of frames to process +160: -s [ --save ] arg (=1) whether or not to save changes to state file +160: 158: ================================================== 158: ======== VOTCA (http://www.votca.org) ======== 158: ================================================== @@ -31681,76 +31924,80 @@ 158: --first-frame arg (=0) start with this frame 158: --nframes arg process the given number of frames 158: -119/249 Test #103: integration_Run_gmx_grompp ......................... Passed 0.33 sec -120/249 Test #87: integration_Compare_csg_stat-imc_multi_output_2 .... Passed 0.14 sec -121/249 Test #136: unit_test_bead ..................................... Passed 0.08 sec -122/249 Test #137: unit_test_beadtriple ............................... Passed 0.08 sec -123/249 Test #138: unit_test_basebead ................................. Passed 0.07 sec -124/249 Test #139: unit_test_beadmotif_algorithms ..................... Passed 0.07 sec -125/249 Test #140: unit_test_beadmotif_base ........................... Passed 0.07 sec -126/249 Test #141: unit_test_beadmotif_connector ...................... Passed 0.07 sec -127/249 Test #142: unit_test_beadstructure_base ....................... Passed 0.06 sec -128/249 Test #143: unit_test_beadstructure_algorithms ................. Passed 0.06 sec -129/249 Test #144: unit_test_bondedstatistics ......................... Passed 0.06 sec -130/249 Test #145: unit_test_csg_topology ............................. Passed 0.05 sec -131/249 Test #146: unit_test_interaction .............................. Passed 0.05 sec -132/249 Test #147: unit_test_lammpsdatareader ......................... Passed 0.05 sec -133/249 Test #148: unit_test_lammpsdumpreaderwriter ................... Passed 0.05 sec -134/249 Test #149: unit_test_nblist_3body ............................. Passed 0.05 sec -135/249 Test #150: unit_test_nblistgrid_3body ......................... Passed 0.04 sec -136/249 Test #151: unit_test_boundarycondition ........................ Passed 0.04 sec -137/249 Test #152: unit_test_pdbreader ................................ Passed 0.04 sec -138/249 Test #154: unit_test_triplelist ............................... Passed 0.04 sec -139/249 Test #157: template_serialHelp ................................ Passed 0.03 sec -140/249 Test #158: template_threadedHelp .............................. Passed 0.03 sec -test 110 - Start 110: integration_Run_gmx_mdrun - -110: Test command: /usr/bin/gmx_d "mdrun" -110: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -110: Test timeout computed to be: 1500 -test 104 - Start 104: integration_Run_csg_dump_gmx_tpr - -104: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --top topol.tpr > csg_dump_tpr.out" -104: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -104: Test timeout computed to be: 1500 -test 106 - Start 106: integration_Run_csg_dump_gmx_tpr_excl - -106: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --excl --top topol.tpr > csg_dump_tpr_excl.out" -106: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -106: Test timeout computed to be: 1500 -test 108 - Start 108: integration_Run_csg_dump_gmx_tpr_cg - -108: Test command: /usr/bin/bash "-c" "/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_dump --cg /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/../mapping.xml --top topol.tpr > csg_dump_tpr_cg.out" -108: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -108: Test timeout computed to be: 1500 -test 170 - Start 170: unit_test_qmatom - -170: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_qmatom -170: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_qmatom -170: Test timeout computed to be: 1500 -test 171 - Start 171: unit_test_polarsegment - -171: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_polarsegment -171: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_polarsegment -171: Test timeout computed to be: 1500 -test 172 - Start 172: unit_test_qmmolecule - -172: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_qmmolecule -172: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_qmmolecule -172: Test timeout computed to be: 1500 -test 173 - Start 173: unit_test_basisset - -173: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_basisset -173: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_basisset -173: Test timeout computed to be: 1500 +159: ================================================== +159: ======== VOTCA (http://www.votca.org) ======== +159: ================================================== +159: +159: please submit bugs to https://github.com/votca/votca/issues +159: +159: xtp_map, version 2024 (compiled Feb 29 2024, 03:52:32) +159: +159: Generates QM|MD topology +159: +159: +159: +159: Allowed options: +159: -h [ --help ] display this help and exit +159: --verbose be loud and noisy +159: --verbose1 be very loud and noisy +159: -v [ --verbose2 ] be extremly loud and noisy +159: -t [ --topology ] arg topology +159: -c [ --coordinates ] arg coordinates or trajectory +159: -s [ --segments ] arg definition of segments and fragments +159: -m [ --makesegments ] write out a skeleton segments file +159: -f [ --file ] arg state file +159: -i [ --first-frame ] arg (=0) start from this frame +159: -b [ --begin ] arg (=0) start time in simulation +159: -n [ --nframes ] arg (=1) number of frames to process +159: +110: +110: Writing final coordinates. +162: ================================================== +162: ======== VOTCA (http://www.votca.org) ======== +162: ================================================== +162: +162: please submit bugs to https://github.com/votca/votca/issues +162: +162: xtp_parallel, version 2024 (compiled Feb 29 2024, 03:52:32) +162: +162: Runs job-based heavy-duty calculators +162: +162: +162: +162: Allowed options: +162: -h [ --help ] display this help and exit +162: --verbose be loud and noisy +162: --verbose1 be very loud and noisy +162: -v [ --verbose2 ] be extremly loud and noisy +162: -o [ --options ] arg Calculator user options. +162: -t [ --nthreads ] arg (=1) number of threads to create +162: -e [ --execute ] arg Name of Calculator to run +162: -l [ --list ] Lists all available Calculators +162: -d [ --description ] arg Short description of a Calculators +162: -c [ --cmdoptions ] arg Modify options via command line by e.g. '-c +162: xmltag.subtag=value'. Use whitespace to +162: separate multiple options +162: -p [ --printoptions ] arg Prints xml options of a Calculator +162: -f [ --file ] arg hdf5 state file, *.hdf5 +162: -i [ --first-frame ] arg (=0) start from this frame +162: -n [ --nframes ] arg (=1) number of frames to process +162: -s [ --save ] arg (=1) whether or not to save changes to state file +162: -x [ --ompthreads ] arg (=1) number of openmp threads to create in each +162: thread +162: -r [ --restart ] arg restart pattern: 'host(pc1:234) +162: stat(FAILED)' +162: -q [ --cache ] arg (=8) assigns jobs in blocks of this size +162: -j [ --jobs ] arg (=run) task(s) to perform: write, run, read +162: -m [ --maxjobs ] arg (=-1) maximum number of jobs to process (-1 = inf) +162: +167: Running 2 test cases... +167: +167: *** No errors detected +150/249 Test #158: template_threadedHelp .............................. Passed 0.27 sec +151/249 Test #159: integration_xtp_mapHelp ............................ Passed 0.25 sec +152/249 Test #160: integration_xtp_runHelp ............................ Passed 0.23 sec +153/249 Test #161: integration_xtp_toolsHelp .......................... Passed 0.22 sec +154/249 Test #162: integration_xtp_parallelHelp ....................... Passed 0.19 sec test 174 Start 174: unit_test_bseoperator_btda @@ -31781,6 +32028,18 @@ 178: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_dftcoupling 178: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_dftcoupling 178: Test timeout computed to be: 1500 +167:  +163: Running 1 test case... +163: +163: *** No errors detected +163:  +172: Running 3 test cases... +172: +172: *** No errors detected +172:  +155/249 Test #163: unit_test_adiis .................................... Passed 0.33 sec +156/249 Test #167: unit_test_aotransform .............................. Passed 0.27 sec +157/249 Test #172: unit_test_qmmolecule ............................... Passed 0.22 sec test 179 Start 179: unit_test_diis @@ -31799,36 +32058,106 @@ 181: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_eigen 181: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_eigen 181: Test timeout computed to be: 1500 +174: Running 1 test case... +174: +174: *** No errors detected +174:  +110: +110: NOTE: 19 % of the run time was spent in pair search, +110: you might want to increase nstlist (this has no effect on accuracy) +110: +110: Core t (s) Wall t (s) (%) +110: Time: 6.376 0.797 799.9 +110: (ns/day) (hour/ns) +110: Performance: 0.434 55.354 +110: +110: GROMACS reminds you: "Clickety Clickety Click" (System Manager From Hell) +110: +170: Running 2 test cases... +170: +170: *** No errors detected +158/249 Test #174: unit_test_bseoperator_btda ......................... Passed 0.24 sec test 182 Start 182: unit_test_eris 182: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_eris 182: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_eris 182: Test timeout computed to be: 1500 +159/249 Test #110: integration_Run_gmx_mdrun .......................... Passed 1.31 sec +test 111 + Start 111: integration_Run_csg_map_gmx + +111: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_map "--top" "topol.tpr" "--trj" "traj.trr" "--out" "traj.gro" "--no-map" "--nframes" "1" +111: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +111: Test timeout computed to be: 1500 +181: Running 3 test cases... +181: +181: *** No errors detected +181:  +169: Running 3 test cases... +169: +169: *** No errors detected +160/249 Test #181: unit_test_eigen .................................... Passed 0.08 sec +test 113 + Start 113: integration_Run_csg_map_gmx_xtc + +113: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_map "--top" "topol.tpr" "--trj" "traj_comp.xtc" "--out" "traj_comp.gro" "--no-map" "--nframes" "1" +113: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +113: Test timeout computed to be: 1500 +170:  +161/249 Test #170: unit_test_qmatom ................................... Passed 0.39 sec test 183 Start 183: unit_test_espfit 183: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_espfit 183: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_espfit 183: Test timeout computed to be: 1500 +169:  +162/249 Test #169: unit_test_atom ..................................... Passed 0.41 sec test 184 Start 184: unit_test_glink 184: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_glink 184: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_glink 184: Test timeout computed to be: 1500 +184: Running 1 test case... +184: +184: *** No errors detected +184:  +163/249 Test #184: unit_test_glink .................................... Passed 0.02 sec test 185 Start 185: unit_test_hdf5 185: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_hdf5 185: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_hdf5 185: Test timeout computed to be: 1500 +166: Running 2 test cases... +166: +166: *** No errors detected +173: Running 1 test case... +173: +173: *** No errors detected +175: Running 3 test cases... +175: 7 +175: 12 +175: 14 +175: +175: *** No errors detected +171: Running 5 test cases... +171: +171: *** No errors detected +166:  +164/249 Test #166: unit_test_aomatrix3d ............................... Passed 0.51 sec test 186 Start 186: unit_test_cubefile_writer 186: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_cubefile_writer 186: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_cubefile_writer 186: Test timeout computed to be: 1500 +173:  +175:  +165/249 Test #173: unit_test_basisset ................................. Passed 0.46 sec +166/249 Test #175: unit_test_bfgs_trm ................................. Passed 0.40 sec test 187 Start 187: unit_test_densityintegration @@ -31841,371 +32170,130 @@ 188: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_vxc_potential 188: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_vxc_potential 188: Test timeout computed to be: 1500 +171:  +167/249 Test #171: unit_test_polarsegment ............................. Passed 0.54 sec test 189 Start 189: unit_test_vxc_grid 189: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_vxc_grid 189: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_vxc_grid 189: Test timeout computed to be: 1500 +165: Running 3 test cases... +165: +165: *** No errors detected +165:  +168/249 Test #165: unit_test_aomatrix ................................. Passed 0.65 sec test 190 Start 190: unit_test_regular_grid 190: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_regular_grid 190: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_regular_grid 190: Test timeout computed to be: 1500 +179: Running 1 test case... +179: +179: *** No errors detected +111: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) +111: I have 9 beads in 3 molecules +113: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) +113: I have 9 beads in 3 molecules +179:  +169/249 Test #179: unit_test_diis ..................................... Passed 0.44 sec test 191 Start 191: unit_test_orbitals 191: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_orbitals 191: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_orbitals 191: Test timeout computed to be: 1500 +113: Reading frame 0 time 0.000 +113: writing coarse-grained trajectory to traj_comp.gro +111: trr version: GMX_trn_file (double precision) +111: Reading frame 0 time 0.000 +111: writing coarse-grained trajectory to traj.gro +170/249 Test #113: integration_Run_csg_map_gmx_xtc .................... Passed 0.33 sec +test 114 + Start 114: integration_Compare_csg_map_gmx_xtc_output + +114: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "traj_comp.gro" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro" +114: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +114: Test timeout computed to be: 1500 +171/249 Test #111: integration_Run_csg_map_gmx ........................ Passed 0.42 sec +test 112 + Start 112: integration_Compare_csg_map_gmx_output + +112: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "traj.gro" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro" +112: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols +112: Test timeout computed to be: 1500 +164: Running 3 test cases... +164: +164: *** No errors detected +178: Running 1 test case... +178: +178: *** No errors detected +164:  +172/249 Test #164: unit_test_aobasis .................................. Passed 0.93 sec test 192 Start 192: unit_test_polarsite 192: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_polarsite 192: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_polarsite 192: Test timeout computed to be: 1500 -162: ================================================== -162: ======== VOTCA (http://www.votca.org) ======== -162: ================================================== -162: -162: please submit bugs to https://github.com/votca/votca/issues -162: -162: xtp_parallel, version 2024 (compiled Feb 29 2024, 03:52:32) -162: -162: Runs job-based heavy-duty calculators -162: -162: -162: -162: Allowed options: -162: -h [ --help ] display this help and exit -162: --verbose be loud and noisy -162: --verbose1 be very loud and noisy -162: -v [ --verbose2 ] be extremly loud and noisy -162: -o [ --options ] arg Calculator user options. -162: -t [ --nthreads ] arg (=1) number of threads to create -162: -e [ --execute ] arg Name of Calculator to run -162: -l [ --list ] Lists all available Calculators -162: -d [ --description ] arg Short description of a Calculators -162: -c [ --cmdoptions ] arg Modify options via command line by e.g. '-c -162: xmltag.subtag=value'. Use whitespace to -162: separate multiple options -162: -p [ --printoptions ] arg Prints xml options of a Calculator -162: -f [ --file ] arg hdf5 state file, *.hdf5 -162: -i [ --first-frame ] arg (=0) start from this frame -162: -n [ --nframes ] arg (=1) number of frames to process -162: -s [ --save ] arg (=1) whether or not to save changes to state file -162: -x [ --ompthreads ] arg (=1) number of openmp threads to create in each -162: thread -162: -r [ --restart ] arg restart pattern: 'host(pc1:234) -162: stat(FAILED)' -162: -q [ --cache ] arg (=8) assigns jobs in blocks of this size -162: -j [ --jobs ] arg (=run) task(s) to perform: write, run, read -162: -m [ --maxjobs ] arg (=-1) maximum number of jobs to process (-1 = inf) -162: -161: ================================================== -161: ======== VOTCA (http://www.votca.org) ======== -161: ================================================== -161: -161: please submit bugs to https://github.com/votca/votca/issues -161: -161: xtp_tools, version 2024 (compiled Feb 29 2024, 03:52:32) -161: -161: Runs excitation/charge transport tools -161: -161: -161: -161: Allowed options: -161: -h [ --help ] display this help and exit -161: --verbose be loud and noisy -161: --verbose1 be very loud and noisy -161: -v [ --verbose2 ] be extremly loud and noisy -161: -o [ --options ] arg Tool user options. -161: -t [ --nthreads ] arg (=1) number of threads to create -161: -e [ --execute ] arg Name of Tool to run -161: -l [ --list ] Lists all available Tools -161: -d [ --description ] arg Short description of a Tools -161: -c [ --cmdoptions ] arg Modify options via command line by e.g. '-c -161: xmltag.subtag=value'. Use whitespace to separate -161: multiple options -161: -p [ --printoptions ] arg Prints xml options of a Tool -161: -159: ================================================== -159: ======== VOTCA (http://www.votca.org) ======== -159: ================================================== -159: -159: please submit bugs to https://github.com/votca/votca/issues -159: -159: xtp_map, version 2024 (compiled Feb 29 2024, 03:52:32) -159: -159: Generates QM|MD topology -159: -159: -159: -159: Allowed options: -159: -h [ --help ] display this help and exit -159: --verbose be loud and noisy -159: --verbose1 be very loud and noisy -159: -v [ --verbose2 ] be extremly loud and noisy -159: -t [ --topology ] arg topology -159: -c [ --coordinates ] arg coordinates or trajectory -159: -s [ --segments ] arg definition of segments and fragments -159: -m [ --makesegments ] write out a skeleton segments file -159: -f [ --file ] arg state file -159: -i [ --first-frame ] arg (=0) start from this frame -159: -b [ --begin ] arg (=0) start time in simulation -159: -n [ --nframes ] arg (=1) number of frames to process -159: -160: ================================================== -160: ======== VOTCA (http://www.votca.org) ======== -160: ================================================== -160: -160: please submit bugs to https://github.com/votca/votca/issues -160: -160: xtp_run, version 2024 (compiled Feb 29 2024, 03:52:32) -160: -160: Runs excitation/charge transport calculators -160: -160: -160: -160: Allowed options: -160: -h [ --help ] display this help and exit -160: --verbose be loud and noisy -160: --verbose1 be very loud and noisy -160: -v [ --verbose2 ] be extremly loud and noisy -160: -o [ --options ] arg Calculator user options. -160: -t [ --nthreads ] arg (=1) number of threads to create -160: -e [ --execute ] arg Name of Calculator to run -160: -l [ --list ] Lists all available Calculators -160: -d [ --description ] arg Short description of a Calculators -160: -c [ --cmdoptions ] arg Modify options via command line by e.g. '-c -160: xmltag.subtag=value'. Use whitespace to -160: separate multiple options -160: -p [ --printoptions ] arg Prints xml options of a Calculator -160: -f [ --file ] arg hdf5 state file, *.hdf5 -160: -i [ --first-frame ] arg (=0) start from this frame -160: -n [ --nframes ] arg (=1) number of frames to process -160: -s [ --save ] arg (=1) whether or not to save changes to state file -160: -163: Running 1 test case... -163: -163: *** No errors detected -163:  -167: Running 2 test cases... -167: -167: *** No errors detected -167:  -169: Running 3 test cases... -169: -169: *** No errors detected -169:  -110: :-) GROMACS - gmx mdrun, 2024.2-Debian_2024.2_1 (double precision) (-: -110: -110: Executable: /usr/bin/gmx_d -110: Data prefix: /usr -110: Working dir: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -110: Command line: -110: gmx_d mdrun -110: -110: Compiled SIMD is SSE4.1, but AVX2_256 might be faster (see log). -110: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) -110: -110: NOTE: Parallelization is limited by the small number of atoms, -110: only starting 1 thread-MPI ranks. -110: You can use the -nt and/or -ntmpi option to optimize the number of threads. -110: -110: Using 1 MPI thread -110: Using 16 OpenMP threads -110: -104: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) -106: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) -108: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) -170: Running 2 test cases... -170: -170: *** No errors detected -170:  -171: Running 5 test cases... -171: -171: *** No errors detected -171:  -172: Running 3 test cases... -172: -172: *** No errors detected -172:  -173: Running 1 test case... -173: -173: *** No errors detected -173:  -174: Running 1 test case... -174: -174: *** No errors detected -174:  -175: Running 3 test cases... -175: 7 -175: 12 -175: 14 -175: -175: *** No errors detected -175:  -179: Running 1 test case... -179: -179: *** No errors detected -179:  -181: Running 3 test cases... -181: -181: *** No errors detected -181:  -184: Running 1 test case... -184: -184: *** No errors detected -184:  -141/249 Test #159: integration_xtp_mapHelp ............................ Passed 0.16 sec -142/249 Test #160: integration_xtp_runHelp ............................ Passed 0.15 sec -143/249 Test #161: integration_xtp_toolsHelp .......................... Passed 0.15 sec -144/249 Test #162: integration_xtp_parallelHelp ....................... Passed 0.15 sec -145/249 Test #163: unit_test_adiis .................................... Passed 0.15 sec -146/249 Test #167: unit_test_aotransform .............................. Passed 0.14 sec -147/249 Test #169: unit_test_atom ..................................... Passed 0.14 sec -148/249 Test #104: integration_Run_csg_dump_gmx_tpr ................... Passed 0.13 sec -149/249 Test #106: integration_Run_csg_dump_gmx_tpr_excl .............. Passed 0.12 sec -150/249 Test #108: integration_Run_csg_dump_gmx_tpr_cg ................ Passed 0.12 sec -151/249 Test #170: unit_test_qmatom ................................... Passed 0.13 sec -152/249 Test #171: unit_test_polarsegment ............................. Passed 0.13 sec -153/249 Test #172: unit_test_qmmolecule ............................... Passed 0.12 sec -154/249 Test #173: unit_test_basisset ................................. Passed 0.12 sec -155/249 Test #174: unit_test_bseoperator_btda ......................... Passed 0.10 sec -156/249 Test #175: unit_test_bfgs_trm ................................. Passed 0.10 sec -157/249 Test #179: unit_test_diis ..................................... Passed 0.08 sec -158/249 Test #181: unit_test_eigen .................................... Passed 0.07 sec -159/249 Test #184: unit_test_glink .................................... Passed 0.06 sec -test 105 - Start 105: integration_Compare_csg_dump_gmx_tpr_output - -105: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_tpr.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_tpr.out" -105: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -105: Test timeout computed to be: 1500 -test 107 - Start 107: integration_Compare_csg_dump_gmx_tpr_excl_output - -107: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_tpr_excl.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_tpr_excl.out" -107: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -107: Test timeout computed to be: 1500 -test 109 - Start 109: integration_Compare_csg_dump_gmx_tpr_cg_output - -109: Test command: /usr/bin/cmake "-E" "compare_files" "csg_dump_tpr_cg.out" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/csg_dump_tpr_cg.out" -109: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -109: Test timeout computed to be: 1500 +112: Comparing traj.gro and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro to a tolerance of 5e-05 +173/249 Test #112: integration_Compare_csg_map_gmx_output ............. Passed 0.12 sec test 193 Start 193: unit_test_staticsite 193: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_staticsite 193: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_staticsite 193: Test timeout computed to be: 1500 +178:  +174/249 Test #178: unit_test_dftcoupling .............................. Passed 0.72 sec test 194 Start 194: unit_test_ppm 194: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_ppm 194: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_ppm 194: Test timeout computed to be: 1500 +185: Running 7 test cases... +185: +185: *** No errors detected +114: Comparing traj_comp.gro and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro to a tolerance of 5e-05 +185:  +175/249 Test #185: unit_test_hdf5 ..................................... Passed 0.61 sec test 195 Start 195: unit_test_qmnblist 195: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_qmnblist 195: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_qmnblist 195: Test timeout computed to be: 1500 +193: Running 6 test cases... +193: +193: *** No errors detected +192: Running 5 test cases... +192: +192: *** No errors detected +193:  +176/249 Test #193: unit_test_staticsite ............................... Passed 0.22 sec test 196 Start 196: unit_test_qmpair 196: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_qmpair 196: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_qmpair 196: Test timeout computed to be: 1500 +192:  +177/249 Test #192: unit_test_polarsite ................................ Passed 0.32 sec test 197 Start 197: unit_test_qmstate 197: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_qmstate 197: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_qmstate 197: Test timeout computed to be: 1500 +178/249 Test #114: integration_Compare_csg_map_gmx_xtc_output ......... Passed 0.46 sec test 198 Start 198: unit_test_radial_euler_maclaurin_rule 198: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_radial_euler_maclaurin_rule 198: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_radial_euler_maclaurin_rule 198: Test timeout computed to be: 1500 -test 199 - Start 199: unit_test_rpa - -199: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_rpa -199: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_rpa -199: Test timeout computed to be: 1500 -test 200 - Start 200: unit_test_rpa_h2p - -200: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_rpa_h2p -200: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_rpa_h2p -200: Test timeout computed to be: 1500 -test 201 - Start 201: unit_test_segment - -201: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_segment -201: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_segment -201: Test timeout computed to be: 1500 -test 202 - Start 202: unit_test_aoshell - -202: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aoshell -202: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aoshell -202: Test timeout computed to be: 1500 -test 203 - Start 203: unit_test_sphere_lebedev_rule - -203: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_sphere_lebedev_rule -203: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_sphere_lebedev_rule -203: Test timeout computed to be: 1500 -test 204 - Start 204: unit_test_statetracker - -204: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_statetracker -204: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_statetracker -204: Test timeout computed to be: 1500 -test 205 - Start 205: unit_test_symmetric_matrix - -205: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_symmetric_matrix -205: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_symmetric_matrix -205: Test timeout computed to be: 1500 -test 206 - Start 206: unit_test_threecenter_dft - -206: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_threecenter_dft -206: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_threecenter_dft -206: Test timeout computed to be: 1500 -test 207 - Start 207: unit_test_threecenter_gwbse - -207: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_threecenter_gwbse -207: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_threecenter_gwbse -207: Test timeout computed to be: 1500 -test 208 - Start 208: unit_test_topology - -208: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_topology -208: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_topology -208: Test timeout computed to be: 1500 -110: starting mdrun 'Flex water' -110: 1 steps, 0.0 ps. -192: Running 5 test cases... -192: -192: *** No errors detected -192:  -178: Running 1 test case... -178: -178: *** No errors detected -178:  -164: Running 3 test cases... -164: -164: *** No errors detected -164:  177: Running 1 test case... 177: result mos 177: 0.996559 0.223082 -1.78969e-15 -4.95242e-15 -2.02391e-15 1.17866e-16 -1.65232e-16 -3.72532e-16 -0.0301914 -6.32849e-16 -3.89012e-16 5.80048e-17 0.102052 -1.34372e-14 -8.16187e-16 2.76341e-15 -0.111923 @@ -32257,165 +32345,189 @@ 177: 2.19073e-10 -2.30681e-09 0.171264 -0.929341 -0.311578 177: 177: *** No errors detected +196: Running 1 test case... +196: +196: *** No errors detected 177:  -61: This should be a number: -0.0413191 -61: This should be a number: -0.854333 -61: -61: Block No1 done! -61: Updating file: CG-CG.force -61: Updating files: CG-CG-CG.pot and: CG-CG-CG.force -61: -61: We are done, thank you very much! -166: Running 2 test cases... -166: -166: *** No errors detected -166:  -180: Running 1 test case... -180: -180: *** No errors detected -180:  -165: Running 3 test cases... -165: -165: *** No errors detected -165:  -185: Running 7 test cases... -185: -185: *** No errors detected -185:  -190: Running 2 test cases... -190: -190: *** No errors detected -190:  -186: Running 1 test case... -186: -186: *** No errors detected -186:  +179/249 Test #177: unit_test_convergenceacc ........................... Passed 1.22 sec +test 199 + Start 199: unit_test_rpa + +199: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_rpa +199: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_rpa +199: Test timeout computed to be: 1500 +196:  +180/249 Test #196: unit_test_qmpair ................................... Passed 0.30 sec +test 200 + Start 200: unit_test_rpa_h2p + +200: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_rpa_h2p +200: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_rpa_h2p +200: Test timeout computed to be: 1500 191: Running 5 test cases... 191: 191: *** No errors detected +190: Running 2 test cases... +190: +190: *** No errors detected 191:  -189: Running 1 test case... -189: -189: *** No errors detected -193: Running 6 test cases... -193: -193: *** No errors detected -193:  -195: Running 2 test cases... -195: -195: *** No errors detected -195:  -196: Running 1 test case... -196: -196: *** No errors detected -196:  +181/249 Test #191: unit_test_orbitals ................................. Passed 1.00 sec +test 201 + Start 201: unit_test_segment + +201: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_segment +201: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_segment +201: Test timeout computed to be: 1500 +190:  +182/249 Test #190: unit_test_regular_grid ............................. Passed 1.13 sec +test 202 + Start 202: unit_test_aoshell + +202: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_aoshell +202: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_aoshell +202: Test timeout computed to be: 1500 197: Running 2 test cases... 197: 197: *** No errors detected 197:  +183/249 Test #197: unit_test_qmstate .................................. Passed 0.64 sec +test 203 + Start 203: unit_test_sphere_lebedev_rule + +203: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_sphere_lebedev_rule +203: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_sphere_lebedev_rule +203: Test timeout computed to be: 1500 +195: Running 2 test cases... +195: +195: *** No errors detected 198: Running 1 test case... 198: 198: *** No errors detected +195:  +184/249 Test #195: unit_test_qmnblist ................................. Passed 0.84 sec +test 204 + Start 204: unit_test_statetracker + +204: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_statetracker +204: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_statetracker +204: Test timeout computed to be: 1500 198:  201: Running 2 test cases... 201: 201: *** No errors detected 201:  +185/249 Test #198: unit_test_radial_euler_maclaurin_rule .............. Passed 0.76 sec +186/249 Test #201: unit_test_segment .................................. Passed 0.26 sec +test 205 + Start 205: unit_test_symmetric_matrix + +205: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_symmetric_matrix +205: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_symmetric_matrix +205: Test timeout computed to be: 1500 +test 206 + Start 206: unit_test_threecenter_dft + +206: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_threecenter_dft +206: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_threecenter_dft +206: Test timeout computed to be: 1500 +186: Running 1 test case... +186: +186: *** No errors detected +186:  202: Running 1 test case... 202: 202: *** No errors detected 202:  -203: Running 4 test cases... -203: -203: *** No errors detected -203:  -204: Running 2 test cases... -204: -204: *** No errors detected -204:  205: Running 6 test cases... 205: 205: *** No errors detected 205:  -160/249 Test #61: integration_Run_csg_fmatch_3body ................... Passed 1.52 sec -161/249 Test #164: unit_test_aobasis .................................. Passed 1.21 sec -162/249 Test #165: unit_test_aomatrix ................................. Passed 1.21 sec -163/249 Test #166: unit_test_aomatrix3d ............................... Passed 1.21 sec -164/249 Test #177: unit_test_convergenceacc ........................... Passed 1.15 sec -165/249 Test #178: unit_test_dftcoupling .............................. Passed 1.14 sec -166/249 Test #180: unit_test_ecpaobasis ............................... Passed 1.13 sec -167/249 Test #185: unit_test_hdf5 ..................................... Passed 1.11 sec -168/249 Test #186: unit_test_cubefile_writer .......................... Passed 1.11 sec -169/249 Test #190: unit_test_regular_grid ............................. Passed 1.09 sec -170/249 Test #191: unit_test_orbitals ................................. Passed 1.09 sec -171/249 Test #192: unit_test_polarsite ................................ Passed 1.08 sec -172/249 Test #105: integration_Compare_csg_dump_gmx_tpr_output ........ Passed 1.06 sec -173/249 Test #107: integration_Compare_csg_dump_gmx_tpr_excl_output ... Passed 1.05 sec -174/249 Test #109: integration_Compare_csg_dump_gmx_tpr_cg_output ..... Passed 1.04 sec -175/249 Test #193: unit_test_staticsite ............................... Passed 1.04 sec -176/249 Test #195: unit_test_qmnblist ................................. Passed 0.59 sec -177/249 Test #196: unit_test_qmpair ................................... Passed 0.59 sec -178/249 Test #197: unit_test_qmstate .................................. Passed 0.60 sec -179/249 Test #198: unit_test_radial_euler_maclaurin_rule .............. Passed 0.55 sec -180/249 Test #201: unit_test_segment .................................. Passed 0.52 sec -181/249 Test #202: unit_test_aoshell .................................. Passed 0.50 sec -182/249 Test #203: unit_test_sphere_lebedev_rule ...................... Passed 0.49 sec -183/249 Test #204: unit_test_statetracker ............................. Passed 0.47 sec -184/249 Test #205: unit_test_symmetric_matrix ......................... Passed 0.45 sec -test 62 - Start 62: integration_Compare_csg_fmatch_3body_output1 - -62: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG.force" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.force.fmatch_3body" -62: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_fmatch_3body -62: Test timeout computed to be: 1500 -test 63 - Start 63: integration_Compare_csg_fmatch_3body_output2 +187/249 Test #186: unit_test_cubefile_writer .......................... Passed 1.58 sec +188/249 Test #202: unit_test_aoshell .................................. Passed 0.32 sec +189/249 Test #205: unit_test_symmetric_matrix ......................... Passed 0.10 sec +test 207 + Start 207: unit_test_threecenter_gwbse -63: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG-CG.force" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.force.fmatch_3body" -63: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_fmatch_3body -63: Test timeout computed to be: 1500 -test 64 - Start 64: integration_Compare_csg_fmatch_3body_output3 +207: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_threecenter_gwbse +207: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_threecenter_gwbse +207: Test timeout computed to be: 1500 +test 208 + Start 208: unit_test_topology -64: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "CG-CG-CG.pot" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.pot.fmatch_3body" -64: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_csg_fmatch_3body -64: Test timeout computed to be: 1500 +208: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_topology +208: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_topology +208: Test timeout computed to be: 1500 test 209 Start 209: unit_test_sigma_exact 209: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_sigma_exact 209: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_sigma_exact 209: Test timeout computed to be: 1500 +208: Running 3 test cases... +208: +208: *** No errors detected +208:  +190/249 Test #208: unit_test_topology ................................. Passed 0.14 sec test 210 Start 210: unit_test_sigma_ppm 210: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_sigma_ppm 210: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_sigma_ppm 210: Test timeout computed to be: 1500 +203: Running 4 test cases... +203: +203: *** No errors detected +203:  +191/249 Test #203: unit_test_sphere_lebedev_rule ...................... Passed 0.82 sec test 211 Start 211: unit_test_sigma_cda 211: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_sigma_cda 211: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_sigma_cda 211: Test timeout computed to be: 1500 +182: Running 2 test cases... +182: +182: *** No errors detected +182:  +192/249 Test #182: unit_test_eris ..................................... Passed 2.38 sec test 212 Start 212: unit_test_gw 212: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_gw 212: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_gw 212: Test timeout computed to be: 1500 +200: Running 1 test case... +200: +200: *** No errors detected +200:  +193/249 Test #200: unit_test_rpa_h2p .................................. Passed 1.70 sec test 213 Start 213: unit_test_bse_operator 213: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_bse_operator 213: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_bse_operator 213: Test timeout computed to be: 1500 +204: Running 2 test cases... +204: +204: *** No errors detected +189: Running 1 test case... +189: +189: *** No errors detected +206: Running 1 test case... +206: +206: *** No errors detected +204:  +194/249 Test #204: unit_test_statetracker ............................. Passed 1.68 sec test 214 Start 214: unit_test_davidson 214: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_davidson 214: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_davidson 214: Test timeout computed to be: 1500 +189:  +206:  +195/249 Test #189: unit_test_vxc_grid ................................. Passed 3.04 sec +196/249 Test #206: unit_test_threecenter_dft .......................... Passed 1.62 sec test 215 Start 215: unit_test_trustregion @@ -32428,60 +32540,115 @@ 216: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_gnode 216: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_gnode 216: Test timeout computed to be: 1500 +207: Running 1 test case... +207: +207: *** No errors detected +207:  +197/249 Test #207: unit_test_threecenter_gwbse ........................ Passed 1.67 sec test 217 Start 217: unit_test_vc2index 217: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_vc2index 217: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_vc2index 217: Test timeout computed to be: 1500 +217: Running 1 test case... +217: +217: *** No errors detected +217:  +198/249 Test #217: unit_test_vc2index ................................. Passed 0.04 sec test 218 Start 218: unit_test_grid 218: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_grid 218: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_grid 218: Test timeout computed to be: 1500 +216: Running 2 test cases... +216: +216: *** No errors detected +216:  +199/249 Test #216: unit_test_gnode .................................... Passed 0.26 sec test 219 Start 219: unit_test_segmentmapper 219: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_segmentmapper 219: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_segmentmapper 219: Test timeout computed to be: 1500 +199: Running 2 test cases... +199: +199: *** No errors detected +199:  +200/249 Test #199: unit_test_rpa ...................................... Passed 2.62 sec test 220 Start 220: unit_test_eeinteractor 220: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_eeinteractor 220: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_eeinteractor 220: Test timeout computed to be: 1500 +219: Running 3 test cases... +219: +219: *** No errors detected +219:  +201/249 Test #219: unit_test_segmentmapper ............................ Passed 0.13 sec test 221 Start 221: unit_test_hist 221: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_hist 221: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_hist 221: Test timeout computed to be: 1500 +215: Running 1 test case... +215: +215: *** No errors detected +215:  +194: Running 1 test case... +194: +194: *** No errors detected +202/249 Test #215: unit_test_trustregion .............................. Passed 0.62 sec test 222 Start 222: unit_test_qmfragment 222: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_qmfragment 222: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_qmfragment 222: Test timeout computed to be: 1500 +194:  +218: Running 1 test case... +218: +218: *** No errors detected +203/249 Test #194: unit_test_ppm ...................................... Passed 3.47 sec test 223 Start 223: unit_test_jobtopology 223: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_jobtopology 223: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_jobtopology 223: Test timeout computed to be: 1500 +218:  +204/249 Test #218: unit_test_grid ..................................... Passed 0.63 sec test 224 Start 224: unit_test_dipoledipoleinteraction 224: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_dipoledipoleinteraction 224: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_dipoledipoleinteraction 224: Test timeout computed to be: 1500 +180: Running 1 test case... +180: +180: *** No errors detected +180:  +205/249 Test #180: unit_test_ecpaobasis ............................... Passed 4.21 sec test 225 Start 225: unit_test_populationanalysis 225: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_populationanalysis 225: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_populationanalysis 225: Test timeout computed to be: 1500 +223: Running 1 test case... +223: +223: *** No errors detected +222: Running 2 test cases... +222: +222: *** No errors detected +222:  +223:  +206/249 Test #222: unit_test_qmfragment ............................... Passed 0.26 sec +207/249 Test #223: unit_test_jobtopology .............................. Passed 0.22 sec test 226 Start 226: unit_test_orca @@ -32494,71 +32661,56 @@ 227: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_dftengine 227: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_dftengine 227: Test timeout computed to be: 1500 +221: Running 1 test case... +221: +221: *** No errors detected +221:  +208/249 Test #221: unit_test_hist ..................................... Passed 0.60 sec test 228 Start 228: unit_test_bsecoupling 228: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_bsecoupling 228: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_bsecoupling 228: Test timeout computed to be: 1500 +226: Running 5 test cases... +226: orca +226: xtp +226: +226: *** No errors detected +226:  +209/249 Test #226: unit_test_orca ..................................... Passed 0.18 sec test 229 Start 229: unit_test_rate_engine 229: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_rate_engine 229: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_rate_engine 229: Test timeout computed to be: 1500 +220: Running 9 test cases... +220: +220: *** No errors detected +209: Running 1 test case... +209: +209: *** No errors detected +210: Running 1 test case... +210: +210: *** No errors detected +220:  +210/249 Test #220: unit_test_eeinteractor ............................. Passed 0.89 sec test 230 Start 230: unit_test_DeltaQ_filter 230: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_DeltaQ_filter 230: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_DeltaQ_filter 230: Test timeout computed to be: 1500 -189:  -185/249 Test #189: unit_test_vxc_grid ................................. Passed 1.38 sec -156: . [100%] -156: 1 passed in 0.11s -186/249 Test #156: unit_check_csg_xml.py .............................. Passed 1.51 sec -206: Running 1 test case... -206: -206: *** No errors detected -206:  -153: histogram created using 4560 data-rows, written to file_interactions.txt -208: Running 3 test cases... -208: -208: *** No errors detected -208:  -194: Running 1 test case... -194: -194: *** No errors detected -194:  -200: Running 1 test case... -200: -200: *** No errors detected -200:  -199: Running 2 test cases... -199: -199: *** No errors detected -62: Comparing CG-CG.force and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG.force.fmatch_3body to a tolerance of 5e-05 -63: Comparing CG-CG-CG.force and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.force.fmatch_3body to a tolerance of 5e-05 -64: Comparing CG-CG-CG.pot and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/CG-CG-CG.pot.fmatch_3body to a tolerance of 5e-05 -217: Running 1 test case... -217: -217: *** No errors detected -217:  -221: Running 1 test case... -221: -221: *** No errors detected -221:  -223: Running 1 test case... -223: -223: *** No errors detected -187/249 Test #194: unit_test_ppm ...................................... Passed 0.88 sec -188/249 Test #200: unit_test_rpa_h2p .................................. Passed 0.78 sec -189/249 Test #206: unit_test_threecenter_dft .......................... Passed 0.44 sec -190/249 Test #208: unit_test_topology ................................. Passed 0.43 sec -191/249 Test #62: integration_Compare_csg_fmatch_3body_output1 ....... Passed 0.25 sec -192/249 Test #63: integration_Compare_csg_fmatch_3body_output2 ....... Passed 0.24 sec -193/249 Test #217: unit_test_vc2index ................................. Passed 0.11 sec -194/249 Test #221: unit_test_hist ..................................... Passed 0.07 sec +209:  +210:  +229: Running 2 test cases... +229: +229: *** No errors detected +229:  +211/249 Test #209: unit_test_sigma_exact .............................. Passed 2.88 sec +212/249 Test #210: unit_test_sigma_ppm ................................ Passed 2.82 sec +213/249 Test #229: unit_test_rate_engine .............................. Passed 0.26 sec test 231 Start 231: unit_test_oscillatorstrength_filter @@ -32577,103 +32729,115 @@ 233: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_density_filter 233: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_density_filter 233: Test timeout computed to be: 1500 +225: Running 2 test cases... +225: +225: *** No errors detected +230: Running 1 test case... +230: +230: *** No errors detected +225:  +214/249 Test #225: unit_test_populationanalysis ....................... Passed 1.02 sec test 234 Start 234: unit_test_overlap_filter 234: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_overlap_filter 234: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_overlap_filter 234: Test timeout computed to be: 1500 +230:  +232: Running 1 test case... +232: +232: *** No errors detected +215/249 Test #230: unit_test_DeltaQ_filter ............................ Passed 0.71 sec test 235 Start 235: unit_test_newton_rapson 235: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_newton_rapson 235: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_newton_rapson 235: Test timeout computed to be: 1500 +235: Running 1 test case... +235: +235: *** No errors detected +235:  +216/249 Test #235: unit_test_newton_rapson ............................ Passed 0.01 sec test 236 Start 236: unit_test_indexparser 236: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_indexparser 236: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_indexparser 236: Test timeout computed to be: 1500 +232:  +217/249 Test #232: unit_test_localisation_filter ...................... Passed 0.60 sec test 237 Start 237: unit_test_orbreorder 237: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_orbreorder 237: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_orbreorder 237: Test timeout computed to be: 1500 +236: Running 3 test cases... +236: +236: *** No errors detected +231: Running 1 test case... +231: +231: *** No errors detected +236:  +218/249 Test #236: unit_test_indexparser .............................. Passed 0.22 sec test 238 Start 238: unit_test_molden 238: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_molden 238: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_molden 238: Test timeout computed to be: 1500 +231:  +219/249 Test #231: unit_test_oscillatorstrength_filter ................ Passed 0.85 sec test 239 Start 239: unit_test_gaussianwriter 239: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_gaussianwriter 239: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_gaussianwriter 239: Test timeout computed to be: 1500 +224: Running 1 test case... +224: +224: *** No errors detected +233: Running 1 test case... +233: +233: *** No errors detected +224:  +220/249 Test #224: unit_test_dipoledipoleinteraction .................. Passed 1.82 sec test 240 Start 240: unit_test_incrementalfockbuilder 240: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_incrementalfockbuilder 240: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_incrementalfockbuilder 240: Test timeout computed to be: 1500 -199:  -223:  -195/249 Test #223: unit_test_jobtopology .............................. Passed 0.12 sec -215: Running 1 test case... -215: -215: *** No errors detected -215:  -222: Running 2 test cases... -222: -222: *** No errors detected -222:  -219: Running 3 test cases... -219: -219: *** No errors detected -219:  -226: Running 5 test cases... -226: orca -226: xtp -226: -226: *** No errors detected -226:  -218: Running 1 test case... -218: -218: *** No errors detected -218:  -207: Running 1 test case... -207: -207: *** No errors detected -229: Running 2 test cases... -229: -229: *** No errors detected -235: Running 1 test case... -235: -235: *** No errors detected -235:  -196/249 Test #199: unit_test_rpa ...................................... Passed 0.87 sec -197/249 Test #64: integration_Compare_csg_fmatch_3body_output3 ....... Passed 0.30 sec -198/249 Test #215: unit_test_trustregion .............................. Passed 0.20 sec -199/249 Test #218: unit_test_grid ..................................... Passed 0.16 sec -200/249 Test #219: unit_test_segmentmapper ............................ Passed 0.16 sec -201/249 Test #222: unit_test_qmfragment ............................... Passed 0.14 sec -202/249 Test #226: unit_test_orca ..................................... Passed 0.11 sec -203/249 Test #235: unit_test_newton_rapson ............................ Passed 0.05 sec +240: Running 2 test cases... +240: +240: *** No errors detected +240:  +221/249 Test #240: unit_test_incrementalfockbuilder ................... Passed 0.01 sec test 241 Start 241: unit_test_parallelism 241: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_parallelism 241: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_parallelism 241: Test timeout computed to be: 1500 +233:  +222/249 Test #233: unit_test_density_filter ........................... Passed 1.19 sec test 242 Start 242: unit_test_anderson 242: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_anderson 242: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_anderson 242: Test timeout computed to be: 1500 +241: Running 1 test case... +241: +241: *** No errors detected +241:  +237: Running 1 test case... +237: +237: *** No errors detected +237:  +223/249 Test #237: unit_test_orbreorder ............................... Passed 0.76 sec +224/249 Test #241: unit_test_parallelism .............................. Passed 0.19 sec test 243 Start 243: unit_test_gaussian_quadratures @@ -32686,347 +32850,219 @@ 244: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_pmlocalization 244: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_pmlocalization 244: Test timeout computed to be: 1500 +213: Running 1 test case... +213: +213: *** No errors detected +213:  +243: Running 4 test cases... +243: +243: *** No errors detected +225/249 Test #213: unit_test_bse_operator ............................. Passed 3.48 sec test 245 Start 245: unit_test_activedensitymatrix 245: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_activedensitymatrix 245: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_activedensitymatrix 245: Test timeout computed to be: 1500 +243:  +226/249 Test #243: unit_test_gaussian_quadratures ..................... Passed 0.20 sec test 246 Start 246: unit_test_activedftengine 246: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_activedftengine 246: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_activedftengine 246: Test timeout computed to be: 1500 +242: Running 1 test case... +242: +242: *** No errors detected +242:  +227/249 Test #242: unit_test_anderson ................................. Passed 0.60 sec test 247 Start 247: unit_test_truncdftengine 247: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_truncdftengine 247: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_truncdftengine 247: Test timeout computed to be: 1500 +188: Running 1 test case... +188: +188: *** No errors detected +228: Running 1 test case... +228: +228: *** No errors detected +228:  +228/249 Test #228: unit_test_bsecoupling .............................. Passed 2.32 sec test 248 Start 248: unit_test_diabatization 248: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_diabatization 248: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_diabatization 248: Test timeout computed to be: 1500 -test 249 - Start 249: unit_test_transition_densities - -249: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_transition_densities -249: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_transition_densities -249: Test timeout computed to be: 1500 -207:  -229:  -204/249 Test #229: unit_test_rate_engine .............................. Passed 0.22 sec -240: Running 2 test cases... -240: -240: *** No errors detected -240:  -205/249 Test #240: unit_test_incrementalfockbuilder ................... Passed 0.14 sec -236: Running 3 test cases... -236: -236: *** No errors detected -236:  +188:  +156: . [100%] +156: 1 passed in 0.87s 239: Running 1 test case... 239: 239: *** No errors detected 239:  -231: Running 1 test case... -231: -231: *** No errors detected -182: Running 2 test cases... -182: -182: *** No errors detected -216: Running 2 test cases... -216: -216: *** No errors detected -241: Running 1 test case... -241: -241: *** No errors detected -241:  -242: Running 1 test case... -242: -242: *** No errors detected -242:  -243: Running 4 test cases... -243: -243: *** No errors detected -243:  -206/249 Test #207: unit_test_threecenter_gwbse ........................ Passed 0.65 sec -207/249 Test #236: unit_test_indexparser .............................. Passed 0.17 sec -208/249 Test #239: unit_test_gaussianwriter ........................... Passed 0.15 sec -209/249 Test #241: unit_test_parallelism .............................. Passed 0.14 sec -210/249 Test #242: unit_test_anderson ................................. Passed 0.12 sec -211/249 Test #243: unit_test_gaussian_quadratures ..................... Passed 0.12 sec -231:  -212/249 Test #231: unit_test_oscillatorstrength_filter ................ Passed 0.22 sec -182:  -213/249 Test #182: unit_test_eris ..................................... Passed 1.62 sec -233: Running 1 test case... -233: -233: *** No errors detected -237: Running 1 test case... -237: -237: *** No errors detected -237:  -216:  -214/249 Test #216: unit_test_gnode .................................... Passed 0.35 sec -215/249 Test #237: unit_test_orbreorder ............................... Passed 0.19 sec -220: Running 9 test cases... -220: -220: *** No errors detected -233:  -216/249 Test #233: unit_test_density_filter ........................... Passed 0.24 sec -220:  -217/249 Test #220: unit_test_eeinteractor ............................. Passed 0.35 sec -230: Running 1 test case... -230: -230: *** No errors detected -230:  -218/249 Test #230: unit_test_DeltaQ_filter ............................ Passed 0.35 sec -232: Running 1 test case... -232: -232: *** No errors detected -232:  -219/249 Test #232: unit_test_localisation_filter ...................... Passed 0.39 sec -225: Running 2 test cases... -225: -225: *** No errors detected -110: -110: Writing final coordinates. -225:  -220/249 Test #225: unit_test_populationanalysis ....................... Passed 0.49 sec -248: Running 3 test cases... -248: -248: ... ... 2025-6-27 18:56:1 Data was created with basis set def2-svp -209: Running 1 test case... -209: -209: *** No errors detected 245: Running 1 test case... 245: 245: *** No errors detected -209:  -221/249 Test #209: unit_test_sigma_exact .............................. Passed 0.88 sec 245:  -222/249 Test #245: unit_test_activedensitymatrix ...................... Passed 0.58 sec -210: Running 1 test case... -210: -210: *** No errors detected -210:  -110: -110: NOTE: 22 % of the run time was spent in pair search, -110: you might want to increase nstlist (this has no effect on accuracy) -110: -110: Core t (s) Wall t (s) (%) -110: Time: 21.607 1.351 1599.9 -110: (ns/day) (hour/ns) -110: Performance: 0.256 93.787 -110: -110: GROMACS reminds you: "This is extremely unlikely." (Berk Hess) -110: -223/249 Test #210: unit_test_sigma_ppm ................................ Passed 0.96 sec -224/249 Test #110: integration_Run_gmx_mdrun .......................... Passed 2.25 sec -test 111 - Start 111: integration_Run_csg_map_gmx - -111: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_map "--top" "topol.tpr" "--trj" "traj.trr" "--out" "traj.gro" "--no-map" "--nframes" "1" -111: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -111: Test timeout computed to be: 1500 -test 113 - Start 113: integration_Run_csg_map_gmx_xtc - -113: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/csg_map "--top" "topol.tpr" "--trj" "traj_comp.xtc" "--out" "traj_comp.gro" "--no-map" "--nframes" "1" -113: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -113: Test timeout computed to be: 1500 -188: Running 1 test case... -188: -188: *** No errors detected -188:  -225/249 Test #188: unit_test_vxc_potential ............................ Passed 2.19 sec -111: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) -111: I have 9 beads in 3 molecules -111: trr version: GMX_trn_file (double precision) -111: Reading frame 0 time 0.000 -111: writing coarse-grained trajectory to traj.gro -226/249 Test #111: integration_Run_csg_map_gmx ........................ Passed 0.04 sec -test 112 - Start 112: integration_Compare_csg_map_gmx_output - -112: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "traj.gro" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro" -112: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -112: Test timeout computed to be: 1500 -113: Reading file topol.tpr, VERSION 2024.2-Debian_2024.2_1 (double precision) -113: I have 9 beads in 3 molecules -113: Reading frame 0 time 0.000 -113: writing coarse-grained trajectory to traj_comp.gro -227/249 Test #113: integration_Run_csg_map_gmx_xtc .................... Passed 0.04 sec -test 114 - Start 114: integration_Compare_csg_map_gmx_xtc_output +229/249 Test #188: unit_test_vxc_potential ............................ Passed 6.78 sec +230/249 Test #239: unit_test_gaussianwriter ........................... Passed 1.43 sec +231/249 Test #245: unit_test_activedensitymatrix ...................... Passed 0.71 sec +test 249 + Start 249: unit_test_transition_densities -114: Test command: /build/reproducible-path/votca-2024/tools/scripts/votca_compare "--etol" "5e-5" "-f1" "traj_comp.gro" "-f2" "/build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro" -114: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/csg/src/tools/Run_gmx_3mols -114: Test timeout computed to be: 1500 -224: Running 1 test case... -224: -224: *** No errors detected -224:  -228/249 Test #224: unit_test_dipoledipoleinteraction .................. Passed 0.97 sec -249: Running 1 test case... -249: -155: ..... [100%] -155: 5 passed in 1.27s -112: Comparing traj.gro and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro to a tolerance of 5e-05 -229/249 Test #112: integration_Compare_csg_map_gmx_output ............. Passed 0.17 sec +249: Test command: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/unit_test_transition_densities +249: Working Directory: /build/reproducible-path/votca-2024/obj-x86_64-linux-gnu/xtp/src/tests/Run_unit_test_transition_densities +249: Test timeout computed to be: 1500 +232/249 Test #156: unit_check_csg_xml.py .............................. Passed 8.15 sec +183: Running 1 test case... +183: +183: *** No errors detected +183:  +233/249 Test #183: unit_test_espfit ................................... Passed 7.74 sec +248: Running 3 test cases... +248: +248: ... ... 2024-5-26 15:13:45 Data was created with basis set def2-svp +212: Running 2 test cases... +212: +212: *** No errors detected +212:  +234/249 Test #212: unit_test_gw ....................................... Passed 5.56 sec 214: Running 7 test cases... 214: -214: ERROR 2025-6-27 18:56:2 Davidson Solver using 42 threads. -214: ERROR 2025-6-27 18:56:2 Tolerance : 0.0001 -214: ERROR 2025-6-27 18:56:2 DPR Correction -214: ERROR 2025-6-27 18:56:2 Matrix size : 400x400 -214: ERROR 2025-6-27 18:56:2 iter Search Space Norm -214: ERROR 2025-6-27 18:56:2 0 20 1.63e-04 50.00% converged -214: ERROR 2025-6-27 18:56:2 1 30 1.68e-09 100.00% converged -214: ERROR 2025-6-27 18:56:2 Davidson converged after 1 iterations. -214: ERROR 2025-6-27 18:56:2----------------------------------- -214: ERROR 2025-6-27 18:56:2- Davidson ran for 0.0785215secs. -214: ERROR 2025-6-27 18:56:2----------------------------------- -114: Comparing traj_comp.gro and /build/reproducible-path/votca-2024/csg/src/tools/references/spce/3mols/conf.gro to a tolerance of 5e-05 -230/249 Test #114: integration_Compare_csg_map_gmx_xtc_output ......... Passed 0.29 sec -213: Running 1 test case... -213: -213: *** No errors detected -228: Running 1 test case... -228: -228: *** No errors detected -213:  -231/249 Test #213: unit_test_bse_operator ............................. Passed 1.43 sec -232/249 Test #155: unit_iie.py ........................................ Passed 2.78 sec -228:  -233/249 Test #228: unit_test_bsecoupling .............................. Passed 1.32 sec +214: ERROR 2024-5-26 15:13:45 Davidson Solver using 20 threads. +214: ERROR 2024-5-26 15:13:45 Tolerance : 0.0001 +214: ERROR 2024-5-26 15:13:45 DPR Correction +214: ERROR 2024-5-26 15:13:45 Matrix size : 400x400 +214: ERROR 2024-5-26 15:13:45 iter Search Space Norm +214: ERROR 2024-5-26 15:13:45 0 20 1.63e-04 50.00% converged +214: ERROR 2024-5-26 15:13:45 1 30 1.68e-09 100.00% converged +214: ERROR 2024-5-26 15:13:45 Davidson converged after 1 iterations. +214: ERROR 2024-5-26 15:13:45----------------------------------- +214: ERROR 2024-5-26 15:13:45- Davidson ran for 0.733396secs. +214: ERROR 2024-5-26 15:13:45----------------------------------- 234: Running 1 test case... 234: 234: *** No errors detected 234:  -234/249 Test #234: unit_test_overlap_filter ........................... Passed 1.33 sec -238: Running 2 test cases... -238: -238: *** No errors detected -238:  -235/249 Test #238: unit_test_molden ................................... Passed 1.32 sec -249: ... ... 2025-6-27 18:56:2 Data was created with basis set def2-svp -249: *** No errors detected -249:  -236/249 Test #249: unit_test_transition_densities ..................... Passed 1.25 sec -183: Running 1 test case... -183: -183: *** No errors detected +235/249 Test #234: unit_test_overlap_filter ........................... Passed 3.12 sec 187: Running 2 test cases... 187: 187: *** No errors detected -183:  -237/249 Test #183: unit_test_espfit ................................... Passed 3.16 sec 187:  -238/249 Test #187: unit_test_densityintegration ....................... Passed 3.17 sec -212: Running 2 test cases... -212: -212: *** No errors detected -212:  -239/249 Test #212: unit_test_gw ....................................... Passed 2.03 sec -153: histogram created using 4560 data-rows, written to file_interactions.txt -248: ... ... 2025-6-27 18:56:1 Using RI -214: -214: ERROR 2025-6-27 18:56:2 Davidson Solver using 42 threads. -214: ERROR 2025-6-27 18:56:2 Tolerance : 0.0001 -214: ERROR 2025-6-27 18:56:2 DPR Correction -214: ERROR 2025-6-27 18:56:2 Matrix size : 240x240 -214: ERROR 2025-6-27 18:56:2 iter Search Space Norm -214: ERROR 2025-6-27 18:56:2 0 10 9.85e-02 0.00% converged -214: ERROR 2025-6-27 18:56:2 1 17 1.23e-03 0.00% converged -214: ERROR 2025-6-27 18:56:2 2 24 2.34e-05 100.00% converged -214: ERROR 2025-6-27 18:56:2 Davidson converged after 2 iterations. -214: ERROR 2025-6-27 18:56:2----------------------------------- -214: ERROR 2025-6-27 18:56:2- Davidson ran for 0.211277secs. -214: ERROR 2025-6-27 18:56:2----------------------------------- -214: *** No errors detected -214:  -240/249 Test #214: unit_test_davidson ................................. Passed 2.39 sec +236/249 Test #187: unit_test_densityintegration ....................... Passed 8.54 sec +249: Running 1 test case... +249: +155: ..... [100%] +155: 5 passed in 3.80s +249: ... ... 2024-5-26 15:13:46 Data was created with basis set def2-svp +249: *** No errors detected +249:  +237/249 Test #249: unit_test_transition_densities ..................... Passed 3.09 sec +238: Running 2 test cases... +238: +238: *** No errors detected +238:  +238/249 Test #238: unit_test_molden ................................... Passed 4.63 sec +239/249 Test #155: unit_iie.py ........................................ Passed 10.90 sec 168: Running 3 test cases... 168: 168: *** No errors detected 168:  -241/249 Test #168: unit_test_aopotential .............................. Passed 4.38 sec +240/249 Test #168: unit_test_aopotential .............................. Passed 13.67 sec +214: +214: ERROR 2024-5-26 15:13:48 Davidson Solver using 20 threads. +214: ERROR 2024-5-26 15:13:48 Tolerance : 0.0001 +214: ERROR 2024-5-26 15:13:48 DPR Correction +214: ERROR 2024-5-26 15:13:48 Matrix size : 240x240 +214: ERROR 2024-5-26 15:13:48 iter Search Space Norm +214: ERROR 2024-5-26 15:13:48 0 10 9.85e-02 0.00% converged +214: ERROR 2024-5-26 15:13:48 1 17 1.23e-03 0.00% converged +214: ERROR 2024-5-26 15:13:49 2 24 2.34e-05 100.00% converged +214: ERROR 2024-5-26 15:13:49 Davidson converged after 2 iterations. +214: ERROR 2024-5-26 15:13:49----------------------------------- +214: ERROR 2024-5-26 15:13:49- Davidson ran for 0.957991secs. +214: ERROR 2024-5-26 15:13:49----------------------------------- +214: *** No errors detected +214:  +241/249 Test #214: unit_test_davidson ................................. Passed 10.34 sec +153: histogram created using 4560 data-rows, written to file_interactions.txt 246: Running 1 test case... 246: 246: *** No errors detected 246:  -242/249 Test #246: unit_test_activedftengine .......................... Passed 3.15 sec -153: histogram created using 4560 data-rows, written to file_interactions.txt -153: histogram created using 4560 data-rows, written to file_interactions.txt +242/249 Test #246: unit_test_activedftengine .......................... Passed 7.75 sec +248: ... ... 2024-5-26 15:13:45 Using RI 211: Running 1 test case... 211: 211: *** No errors detected 211:  -243/249 Test #211: unit_test_sigma_cda ................................ Passed 5.05 sec +243/249 Test #211: unit_test_sigma_cda ................................ Passed 15.54 sec 247: Running 1 test case... 247: 247: *** No errors detected 247:  -244/249 Test #247: unit_test_truncdftengine ........................... Passed 5.36 sec +244/249 Test #247: unit_test_truncdftengine ........................... Passed 13.34 sec 153: histogram created using 4560 data-rows, written to file_interactions.txt 244: Running 2 test cases... 244: 244: *** No errors detected 244:  -245/249 Test #244: unit_test_pmlocalization ........................... Passed 6.49 sec -153: histogram created using 4560 data-rows, written to file_interactions.txt -248: ... ... 2025-6-27 18:56:3 Data was created with basis set def2-svp -248: ... ... 2025-6-27 18:56:8 Dipole Moment excited state 1 0.0214404 -0.239573 -2.74726e-05 -248: ... ... 2025-6-27 18:56:8 Dipole Moment excited state 2 0.154532 -0.885145 -1.99557e-05 -248: ... ... 2025-6-27 18:56:8 Data was created with basis set def2-svp +245/249 Test #244: unit_test_pmlocalization ........................... Passed 17.09 sec 153: histogram created using 4560 data-rows, written to file_interactions.txt 176: Running 1 test case... 176: 176: *** No errors detected 176:  -246/249 Test #176: unit_test_bse ...................................... Passed 9.84 sec +246/249 Test #176: unit_test_bse ...................................... Passed 28.16 sec +248: ... ... 2024-5-26 15:13:54 Data was created with basis set def2-svp +248: ... ... 2024-5-26 15:14:6 Dipole Moment excited state 1 0.0214404 -0.239573 -2.74726e-05 +248: ... ... 2024-5-26 15:14:7 Dipole Moment excited state 2 0.154532 -0.885145 -1.99557e-05 +248: ... ... 2024-5-26 15:14:7 Data was created with basis set def2-svp +153: histogram created using 4560 data-rows, written to file_interactions.txt +153: histogram created using 4560 data-rows, written to file_interactions.txt 153: histogram created using 4560 data-rows, written to file_interactions.txt -153: -153: *** No errors detected -153:  -247/249 Test #153: unit_test_tabulatedpotential ....................... Passed 9.97 sec -248: ... ... 2025-6-27 18:56:8 Transition Dipole Moment 0.754728 0.131574 9.25604e-06 -248: ... ... 2025-6-27 18:56:11 Fragment 1 ground state 9.60042e-07 -248: ... ... 2025-6-27 18:56:11 Fragment 2 ground state -4.64864e-06 -248: ... ... 2025-6-27 18:56:11 Fragment 1 poulation electron -0.4994 -248: ... ... 2025-6-27 18:56:11 Fragment 1 poulation hole 0.4994 -248: ... ... 2025-6-27 18:56:11 Fragment 2 poulation electron -0.500599 -248: ... ... 2025-6-27 18:56:11 Fragment 2 poulation hole 0.5006 227: Running 2 test cases... 227: 227: *** No errors detected 227:  -248/249 Test #227: unit_test_dftengine ................................ Passed 12.08 sec -248: ... ... 2025-6-27 18:56:11 dQ11 -1.41042e-06 -248: ... ... 2025-6-27 18:56:13 Fragment 1 poulation electron -0.500138 -248: ... ... 2025-6-27 18:56:13 Fragment 1 poulation hole 0.500138 -248: ... ... 2025-6-27 18:56:13 dQ22 -2.05877e-06 -248: ... ... 2025-6-27 18:56:13 Data was created with basis set def2-svp -248: ... ... 2025-6-27 18:56:13 Fragment 1 transition -1.13604e-07 -248: ... ... 2025-6-27 18:56:13 Fragment 2 transition -9.55366e-08 -248: ... ... 2025-6-27 18:56:13 dQ12 -1.80674e-08 +247/249 Test #227: unit_test_dftengine ................................ Passed 32.53 sec +248: ... ... 2024-5-26 15:14:7 Transition Dipole Moment 0.754728 0.131574 9.25604e-06 +248: ... ... 2024-5-26 15:14:15 Fragment 1 ground state 9.60042e-07 +248: ... ... 2024-5-26 15:14:15 Fragment 2 ground state -4.64864e-06 +248: ... ... 2024-5-26 15:14:15 Fragment 1 poulation electron -0.4994 +248: ... ... 2024-5-26 15:14:15 Fragment 1 poulation hole 0.4994 +248: ... ... 2024-5-26 15:14:15 Fragment 2 poulation electron -0.500599 +248: ... ... 2024-5-26 15:14:15 Fragment 2 poulation hole 0.5006 +153: histogram created using 4560 data-rows, written to file_interactions.txt +153: histogram created using 4560 data-rows, written to file_interactions.txt +153: +153: *** No errors detected +153:  +248/249 Test #153: unit_test_tabulatedpotential ....................... Passed 42.16 sec +248: ... ... 2024-5-26 15:14:15 dQ11 -1.41042e-06 +248: ... ... 2024-5-26 15:14:20 Fragment 1 poulation electron -0.500138 +248: ... ... 2024-5-26 15:14:20 Fragment 1 poulation hole 0.500138 +248: ... ... 2024-5-26 15:14:20 dQ22 -2.05877e-06 +248: ... ... 2024-5-26 15:14:20 Data was created with basis set def2-svp +248: ... ... 2024-5-26 15:14:20 Fragment 1 transition -1.13604e-07 +248: ... ... 2024-5-26 15:14:20 Fragment 2 transition -9.55366e-08 +248: ... ... 2024-5-26 15:14:20 dQ12 -1.80674e-08 248: *** No errors detected 248:  -249/249 Test #248: unit_test_diabatization ............................ Passed 12.35 sec +249/249 Test #248: unit_test_diabatization ............................ Passed 36.42 sec 100% tests passed, 0 tests failed out of 249 -Total Test time (real) = 14.34 sec +Total Test time (real) = 45.74 sec make[1]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' create-stamp debian/debhelper-build-stamp dh_prep dh_auto_install - cd obj-x86_64-linux-gnu && make -j42 install DESTDIR=/build/reproducible-path/votca-2024/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" + cd obj-x86_64-linux-gnu && make -j20 install DESTDIR=/build/reproducible-path/votca-2024/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true" make[1]: Entering directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' /usr/bin/cmake -S/build/reproducible-path/votca-2024 -B/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu --check-build-system CMakeFiles/Makefile.cmake 0 make -f CMakeFiles/Makefile2 preinstall @@ -33339,645 +33375,645 @@ -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/template/template_threaded.cc -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/template/CMakeLists.txt -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/kb-ibi +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/kb-ibi/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/kb-ibi/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/kb-ibi/settings_2.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/kb-ibi/settings.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/kb-ibi/table.xvg +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/kb-ibi/topol.top +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/kb-ibi/SOL-SOL.dist.tgt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/kb-ibi/UR-SOL.dist.tgt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/kb-ibi/index.ndx +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/kb-ibi/README +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/kb-ibi/settings_3.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/kb-ibi/grompp.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/kb-ibi/UR-UR.dist.tgt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/ibi +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/ibi/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/ibi/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/ibi/settings.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/ibi/table.xvg +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/ibi/topol.top +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/ibi/SOL-SOL.dist.tgt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/ibi/UR-SOL.dist.tgt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/ibi/index.ndx +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/ibi/grompp.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/ibi/UR-UR.dist.tgt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/atomistic +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/atomistic/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/atomistic/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/atomistic/water.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/atomistic/non-bonded.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/atomistic/topol.top +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/atomistic/Urea.itp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/atomistic/grompp.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/atomistic/urea.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/atomistic/water.itp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/cibi +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/cibi/conf.gro +-- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/cibi/index.ndx +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/cibi/README +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/cibi/A-A.pot.in +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/cibi/grompp.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/cibi/B-B.pot.in +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/cibi/pre +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/cibi/pre/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/urea-water/cibi/pre/run.sh +-- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane/imc-ibiintra +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane/imc-ibiintra/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane/imc-ibiintra/bond.pot.in +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane/imc-ibiintra/bond.dist.tgt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane/imc-ibiintra/topology.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane/imc-ibiintra/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/propane/imc-ibiintra/B-B.dist.tgt +-- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.5/atomistic/methanol_opls.itp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.5/atomistic/topol.top --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.5/atomistic/settings.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.5/atomistic/water.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.5/atomistic/conf.gro --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.5/atomistic/run.sh -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.938 -- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/atomistic/grompp.mdp -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/grompp.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/function_rdf_weight.in --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/ME-ME.aa.rdf --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/ME-WT.simplex.in --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/ME-WT.aa.rdf --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/table.xvg +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/conf.gro -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/function_CKDg_ME_ME.in --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/grompp.prep.mdp -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/function_CKDg_WT_WT.in --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/topol.top +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol-water/X_0.062/simplex/run.sh -- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2 --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/grompp.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/table.xvg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/LJ2-LJ2.dist.tgt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/topol.top --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/settings.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/LJ1-LJ2/imc/svd.py --- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/force_matching --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/force_matching/methanol.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/force_matching/fmatch.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/force_matching/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/force_matching/methanol.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/rdf_methanol.xvg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/grompp.mdp +-- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/index.ndx --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/grompp.mdp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/ibi/rdf_methanol.xvg +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/run.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/methanol/atomistic/settings.xml +-- Installing: 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Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/density/dens_CG_CG_aim.xvg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/density/run.sh -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/simple --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/simple/CG-CG.simplex.in --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/simple/function_CKDg.in --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/simple/grompp.mdp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/simple/function_rdf_weight.in --- Installing: 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Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure/conf.gro +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure/CG-CG.simplex.in +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure/function_CKDg.in -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure/index.ndx --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure/CG-CG.dist.tgt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/simplex/pressure/run.sh --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime_lammps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/spce/realtime_lammps/pot.ibm --- 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Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/table.xvg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/angle.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/A-B.dist.tgt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/topol.top --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/settings.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/table_b1.xvg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/conf.gro --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/csg-tutorials/hexane/ibi_nonbonded/index.ndx --- 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/build/reproducible-path/votca-2024/debian/tmp/usr/include/votca/xtp/votca_xtp_config.h -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/include/votca/xtp/ERIs.h -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/include/votca/xtp/GaussianQuadratureBase.h @@ -34241,259 +34277,259 @@ -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/ecps/def2-ecp.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/ecps/ecp.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/xtp_benchmark -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Heptacene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Pentacene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Nonacene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Anthracene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Tetracene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Decacene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Hexacene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Naphthalene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Benzene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Octacene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/adenine.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/thymine.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/cytosine.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/uracil.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/hexatriene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/ethene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/octatetraene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/cyclopropene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/butadiene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/hexatriene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/norbornadiene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/ethene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/cyclopentadiene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/butadiene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/unsaturated_aliphatic_hydrocarbons/cyclopropene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/formaldehyde.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/acetone.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/propanamide.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/formamide.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/propanamide.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/formaldehyde.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/benzoquinone.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/acetone.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aldehydes_ketones_and_amides/acetamide.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/adenine.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/thymine.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/uracil.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/nucleobases/cytosine.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/tetrazine.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrimidine.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyridine.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/naphthalene.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyridazine.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/triazine.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrazine.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/benzene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrrole.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyridine.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/furan.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/imidazole.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrimidine.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/xtp_benchmark +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/furan.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyrazine.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/tetrazine.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/triazine.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/benzene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Geometries_ThielSet/aromatic_hydrocarbons_and_heterocycles/pyridazine.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Decacene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Pentacene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Benzene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Octacene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Heptacene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Nonacene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Naphthalene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Tetracene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Hexacene.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/Geometries/Aromatic_hydrocarbons/Anthracene.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp/benchmark/xtp_benchmark -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LICENSE -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/single_point.ipynb -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_h.mps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_s1.mps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_n.mps -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_e.mps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_h.mps -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_n2s1.mps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_n.mps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/MP_FILES/Methane_s1.mps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/dftgwbse.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/state.hdf5 -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/methane_summary.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/mapchecker.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/methane.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/state.hdf5 -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/system.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/dftgwbse.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/methane.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/files_examples/methane.orb --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/single_point.ipynb --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/geometry_optimization.ipynb -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/scripts -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_energy.py --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_optimization.py -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_gradient.py +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_optimization.py -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/scripts/run_mapchecker.py --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/pyxtp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/pyxtp/PYXTP.ipynb --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4 --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4/DFTGWBSE_ENERGY.ipynb --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4/dftgwbse2.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4/methane.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/pyxtp/geometry_optimization.ipynb +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/README.rst -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/LAMMPS_KMC.ipynb -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/state.hdf5 -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/system.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/KMC_Thiophene/LAMMPS_KMC.ipynb -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/qmmm.jobs -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/thiophene_n.mps -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.gbw --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.inp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.pc_chelpg --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.vpot --- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.gbw +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.vpot +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.pc_chelpg +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/polar.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.inp -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/thiophene_n-pol.mps -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/GS_chelpg/system.log --- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system_property.txt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/polar.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.pc_chelpg -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/thiophene_e.mps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/molpol.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/polar.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.inp -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.log --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/thiophene_e-pol.mps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/electron_chelpg/system.prop -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/thiophene_e.mps -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system_property.txt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.prop +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/molpol.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/log2mps.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.gbw --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.inp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.pc_chelpg -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.vpot --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/thiophene_h-pol.mps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/log2mps.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system_property.txt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.pc_chelpg -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/polar.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/molpol.xml --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/thiophene_h.mps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.inp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/thiophene_h-pol.mps -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.log --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/system.prop +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/hole_chelpg/thiophene_h.mps -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/thiophene_h.mps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/MP_FILES/thiophene_n.mps +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/iqm.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QMMM_LAMMPS.ipynb +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/qmmm_mm.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/system.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/eqm.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.gbw --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.inp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.engrad --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system_property.txt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.opt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/electrom_opt/system.xyz --- Installing: 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/build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system_property.txt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.prop +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.gbw +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.inp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.log +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system_property.txt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.prop +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.gbw +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.inp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.log -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/Reorg_summary.csv -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/system.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system_property.txt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.prop -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.gbw -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.inp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system_property.txt -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.log --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/hole/system.prop --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.gbw --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.inp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system_property.txt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.log --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.prop -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system_property.txt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.prop -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.gbw -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.inp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system_property.txt -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.log --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/electron/system.prop --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/system.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.gbw --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.inp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system_property.txt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.log --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/neutral/system.prop --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.gbw --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.inp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system_property.txt --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.log --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/electron/system.prop --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/eGEO/system.xyz +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system_property.txt +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.prop +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/nGEO/neutral/system.gbw +-- Installing: 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Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.gbw -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.inp --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system_property.txt -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.log --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/hole/system.prop -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/LAMMPS/Thiophene/QC_FILES/REORG/hGEO/neutral +-- Installing: 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Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES/Methane_n2s1.mps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES/Methane_n.mps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MP_FILES/Methane_s1.mps --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/QC_FILES --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/QC_FILES/methane.xyz --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/eqm.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/iqm.xml -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/qmmm_mm.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/system.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/QMMM_GROMACS.ipynb +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/eqm.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/QC_FILES +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/QC_FILES/methane.xyz -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MD_FILES --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MD_FILES/topol.tpr -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MD_FILES/conf.gro --- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/system.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/MD_FILES/topol.tpr -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/Methane/qmmm.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane/lifetimes.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane/change_energy.py +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/GROMACS/KMC_Methane/GROMACS_KMC.ipynb -- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/clean_notebooks.sh +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/pyxtp +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/pyxtp/PYXTP.ipynb +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4 +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4/DFTGWBSE_ENERGY.ipynb +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4/dftgwbse2.xml +-- Installing: /build/reproducible-path/votca-2024/debian/tmp/usr/share/votca/xtp-tutorials/tools/dftgwbse_CH4/methane.xyz make[1]: Leaving directory '/build/reproducible-path/votca-2024/obj-x86_64-linux-gnu' dh_install debian/rules override_dh_installdocs @@ -34527,12 +34563,12 @@ dh_md5sums dh_builddeb dpkg-deb: building package 'libvotca-dev' in '../libvotca-dev_2024-2_amd64.deb'. -dpkg-deb: building package 'libvotca-2024' in '../libvotca-2024_2024-2_amd64.deb'. dpkg-deb: building package 'libvotca-2024-dbgsym' in '../libvotca-2024-dbgsym_2024-2_amd64.deb'. +dpkg-deb: building package 'libvotca-2024' in '../libvotca-2024_2024-2_amd64.deb'. +dpkg-deb: building package 'votca-dbgsym' in '../votca-dbgsym_2024-2_amd64.deb'. dpkg-deb: building package 'votca-data' in '../votca-data_2024-2_all.deb'. dpkg-deb: building package 'votca-tutorials' in '../votca-tutorials_2024-2_all.deb'. dpkg-deb: building package 'votca' in '../votca_2024-2_amd64.deb'. -dpkg-deb: building package 'votca-dbgsym' in '../votca-dbgsym_2024-2_amd64.deb'. dpkg-genbuildinfo --build=binary -O../votca_2024-2_amd64.buildinfo dpkg-genchanges --build=binary -O../votca_2024-2_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -34540,12 +34576,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/2259958/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/2259958/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/64368 and its subdirectories -I: Current time: Fri Jun 27 18:59:03 -12 2025 -I: pbuilder-time-stamp: 1751093943 +I: removing directory /srv/workspace/pbuilder/2259958 and its subdirectories +I: Current time: Sun May 26 15:19:31 +14 2024 +I: pbuilder-time-stamp: 1716686371