Script 'mail_helper' called by obssrc Hello community, here is the log from the commit of package votca for openSUSE:Factory checked in at 2026-03-17 19:04:18 ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Comparing /work/SRC/openSUSE:Factory/votca (Old) and /work/SRC/openSUSE:Factory/.votca.new.8177 (New) ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
Package is "votca" Tue Mar 17 19:04:18 2026 rev:17 rq:1339415 version:2026 Changes: -------- --- /work/SRC/openSUSE:Factory/votca/votca.changes 2026-02-06 19:14:58.419774844 +0100 +++ /work/SRC/openSUSE:Factory/.votca.new.8177/votca.changes 2026-03-17 19:05:57.848318391 +0100 @@ -1,0 +2,43 @@ +Wed Mar 11 21:21:40 UTC 2026 - Christoph Junghans <[email protected]> + +- Drop 0001-Support-building-with-Eigen3-5.0.0.patch merged upstream +- Update to v2026 + - Remove csg_boltzmann ([gh#votca/votca#1184]) + - Remove old histogram class ([gh#votca/votca#1185]) + - Remove csg_tutorials ([gh#votca/votca#1186]) + - CI: enable parallel testing ([gh#votca/votca#1187]) + - Remove csg_inverse and friends ([gh#votca/votca#1188]) + - Add support for Eigen3 v5.0.0 ([gh#votca/votca#1189]) + - Remove GMX builds from CI ([gh#votca/votca#1190]) + - Remove csg_property ([gh#votca/votca#1192]) + - drop gmx 2019 support from readers ([gh#votca/votca#1193]) + - CI: clean up setup action ([gh#votca/votca#1194]) + - Remove csg_resample ([gh#votca/votca#1195]) + - Move csg_density into csgapps ([gh#votca/votca#1196]) + - Remove still_dirty scripts ([gh#votca/votca#1197]) + - Move csg-completion into tools ([gh#votca/votca#1198]) + - Remove votca_property ([gh#votca/votca#1199]) + - Update sphinx doc to reflect csg_inverse removal ([gh#votca/votca#1200]) + - CI: fix freebsd build ([gh#votca/votca#1201]) + - fix python test ([gh#votca/votca#1203]) + - Make pyxtp a real pip module ([gh#votca/votca#1180]) + - Use Apple Accelerate Framework in Eigen ([gh#votca/votca#1205]) + - fixing boost and other warnings on rawhide ([gh#votca/votca#1206]) + - CI: drop gmx-2025 builds ([gh#votca/votca#1208]) + - add OSX builds in CI ([gh#votca/votca#1207]) + - fix xtp_autogen_mapping on OSX([gh#votca/votca#1211]) + - fix reading of polarizability tensor from newer ORCA + versions ([gh#votca/votca#1213]) + - fix thread locking in orca calls ([gh#votca/votca#1215]) + - fix HDF5 thread-safety issue ([gh#votca/votca#1217]) + - fix building manpageson OSX ([gh#votca/votca#1218]) + - setting PyXTP installation path to user's site-package + directory ([gh#votca/votca#1219]) + - allow for overriding python library installation + directory ([gh#votca/votca#1221]) + - add integration tests for xtp ([gh#votca/votca#1220]) + - CI: docker build add provenance=false ([gh#votca/votca#1225]) + - unbuffered KMC output on single thread ([gh#votca/votca#1226]) + - CI: ignore c2y-extensions warning on rawhide ([gh#votca/votca#1228]) + +------------------------------------------------------------------- Old: ---- 0001-Support-building-with-Eigen3-5.0.0.patch votca-2025.1.tar.gz New: ---- votca-2026.tar.gz ----------(Old B)---------- Old: - Drop 0001-Support-building-with-Eigen3-5.0.0.patch merged upstream - Update to v2026 ----------(Old E)---------- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++ Other differences: ------------------ ++++++ votca.spec ++++++ --- /var/tmp/diff_new_pack.3ddiGJ/_old 2026-03-17 19:05:58.592349226 +0100 +++ /var/tmp/diff_new_pack.3ddiGJ/_new 2026-03-17 19:05:58.596349391 +0100 @@ -2,7 +2,7 @@ # spec file for package votca # # Copyright (c) 2026 SUSE LLC and contributors -# Copyright (c) 2021-2022 Christoph Junghans +# Copyright (c) 2021-2026 Christoph Junghans # # All modifications and additions to the file contributed by third parties # remain the property of their copyright owners, unless otherwise agreed @@ -26,30 +26,23 @@ %endif Name: votca -Version: 2025.1 +Version: 2026 Release: 0 %define uversion %{version} -%define sover 2025 +%define sover 2026 Summary: Versatile Object-oriented Toolkit for Coarse-graining Applications License: Apache-2.0 Group: Productivity/Scientific/Chemistry URL: https://www.votca.org Source0: https://github.com/votca/votca/archive/v%{uversion}.tar.gz#/%{name}-%{uversion}.tar.gz -Patch1: 0001-Support-building-with-Eigen3-5.0.0.patch BuildRequires: cmake >= 3.13 BuildRequires: eigen3-devel BuildRequires: fdupes BuildRequires: fftw3-devel BuildRequires: gcc-c++ -BuildRequires: gnuplot -# gromacs is not available on 32-bit arm -%ifnarch %{arm} +# gromacs is not available on 32-bit +%ifnarch %{arm} %{ix86} BuildRequires: gromacs-devel -# mpi gromacs is not available on 32-bit intel -# used for testing only -%ifnarch %ix86 -BuildRequires: gromacs-openmpi -%endif %endif BuildRequires: hdf5-devel BuildRequires: libboost_filesystem-devel >= 1.71.0 @@ -65,10 +58,7 @@ %endif BuildRequires: libxc-devel BuildRequires: memory-constraints -BuildRequires: openmpi-macros-devel BuildRequires: pkg-config -BuildRequires: procps -BuildRequires: psmisc BuildRequires: python3-cma # only needed for testing BuildRequires: python3-lxml @@ -133,9 +123,6 @@ Summary: Architecture-independent data files for VOTCA Group: Productivity/Scientific/Chemistry BuildArch: noarch -Requires: /usr/bin/awk -Requires: bash -Requires: perl Obsoletes: votca-csg-common <= 2022~rc1 Provides: votca-csg-common = %version-%release Obsoletes: votca-xtp-common <= 2022~rc1 @@ -146,6 +133,7 @@ This package contains the architecture-independent data files for VOTCA. +%if %{with_xtp} %package tutorials Summary: Tutorial documentation for VOTCA Coarse Graining Engine Group: Productivity/Scientific/Chemistry @@ -158,6 +146,7 @@ %{votca_desc} This package contains the tutorial documentation and sample data. +%endif %package bash Summary: Bash completion for votca @@ -177,8 +166,6 @@ %autosetup -p1 -n %{name}-%{uversion} %build -%setup_openmpi - # save some memory %limit_build -m 2400 %{cmake} -DINSTALL_RC_FILES=OFF -DCMAKE_SKIP_RPATH=OFF -DENABLE_TESTING=ON -DENABLE_REGRESSION_TESTING=ON \ @@ -189,19 +176,6 @@ %install %cmake_install -sed -i '1s@env @@' \ - %{buildroot}/%{_datadir}/votca/scripts/inverse/{iie,cma_processor,table_smooth_at_cut_off}.py \ - %{buildroot}/%{_datadir}/votca/csg-tutorials/LJ1-LJ2/imc/svd.py \ - %{buildroot}/%{_datadir}/votca/csg-tutorials/spce/ibi*/spce.py \ - %{buildroot}/%{_datadir}/votca/scripts/inverse/check_csg_xml.py -sed -i '1s@/usr/bin/env .*perl@/usr/bin/perl@' \ - %{buildroot}/%{_datadir}/votca/scripts/inverse/*.pl -sed -i '1s@/usr/bin/env .*bash@/bin/bash@' \ - %{buildroot}/%{_datadir}/votca/scripts/inverse/*.sh \ - %{buildroot}/%{_datadir}/votca/csg-tutorials/*/*/*.sh \ - %{buildroot}/%{_datadir}/votca/csg-tutorials/*/*.sh \ - %{buildroot}/%{_datadir}/votca/csg-tutorials/*/*/*/*.sh \ - %{buildroot}/%{_bindir}/csg_{call,inverse} %if %{with_xtp} chmod +x %{buildroot}/%{_datadir}/votca/xtp-tutorials/pyxtp/scripts/run_*.py @@ -214,12 +188,11 @@ # Move bash completion file to correct location mkdir -p %{buildroot}%{_datadir}/bash_completion.d -cp %{__builddir}/csg/scripts/csg-completion.bash %{buildroot}%{_datadir}/bash_completion.d/votca +cp %{__builddir}/csg/src/tools/csg-completion.bash %{buildroot}%{_datadir}/bash_completion.d/votca %fdupes %{buildroot}%{_prefix} %check -%setup_openmpi %ctest %files @@ -240,12 +213,14 @@ %{_libdir}/libvotca_*.so %{_libdir}/cmake/VOTCA_* +%if %{with_xtp} %files tutorials -%{_datadir}/votca/{csg,xtp}-tutorials +%{_datadir}/votca/xtp-tutorials +%endif %files common %{_datadir}/votca -%exclude %{_datadir}/votca/{csg,xtp}-tutorials +%exclude %{_datadir}/votca/xtp-tutorials %files bash %dir %{_datadir}/bash_completion.d ++++++ votca-2025.1.tar.gz -> votca-2026.tar.gz ++++++ /work/SRC/openSUSE:Factory/votca/votca-2025.1.tar.gz /work/SRC/openSUSE:Factory/.votca.new.8177/votca-2026.tar.gz differ: char 12, line 1
