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gitrepo.freebsd.org (DragonFly Mail Agent v0.13+ on gitrepo.freebsd.org); Sun, 12 Apr 2026 07:29:55 +0000 To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org From: Yuri Victorovich Subject: git: e09116fe2193 - main - science/votca: update 202=?utf-8?Q?5.1 =E2=86=92?= 2026 List-Id: Commits to the main branch of the FreeBSD ports repository List-Archive: https://lists.freebsd.org/archives/dev-commits-ports-main List-Help: List-Post: List-Subscribe: List-Unsubscribe: X-BeenThere: dev-commits-ports-main@freebsd.org Sender: owner-dev-commits-ports-main@FreeBSD.org MIME-Version: 1.0 Content-Type: text/plain; charset=utf-8 Content-Transfer-Encoding: 8bit X-Git-Committer: yuri X-Git-Repository: ports X-Git-Refname: refs/heads/main X-Git-Reftype: branch X-Git-Commit: e09116fe2193f0d882333936b38a76e79a542034 Auto-Submitted: auto-generated Date: Sun, 12 Apr 2026 07:29:55 +0000 Message-Id: <69db49f3.3adaa.293e6d84@gitrepo.freebsd.org> The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=e09116fe2193f0d882333936b38a76e79a542034 commit e09116fe2193f0d882333936b38a76e79a542034 Author: Yuri Victorovich AuthorDate: 2026-04-12 07:21:04 +0000 Commit: Yuri Victorovich CommitDate: 2026-04-12 07:29:42 +0000 science/votca: update 2025.1 → 2026 --- science/votca/Makefile | 8 +- science/votca/distinfo | 6 +- science/votca/pkg-plist | 704 +----------------------------------------------- 3 files changed, 9 insertions(+), 709 deletions(-) diff --git a/science/votca/Makefile b/science/votca/Makefile index 00c6a4de33b1..b4417e9fffc7 100644 --- a/science/votca/Makefile +++ b/science/votca/Makefile @@ -1,7 +1,6 @@ PORTNAME= votca DISTVERSIONPREFIX= v -DISTVERSION= 2025.1 -PORTREVISION= 2 +DISTVERSION= 2026 CATEGORIES= science MAINTAINER= yuri@FreeBSD.org @@ -42,8 +41,7 @@ USE_GITHUB= yes USE_LDCONFIG= yes SHEBANG_GLOB= *.sh *.pl *.py -SHEBANG_FILES= csg/scripts/csg_call csg/scripts/csg_inverse \ - tools/scripts/votca_compare tools/scripts/votca_help2doc \ +SHEBANG_FILES= tools/scripts/votca_compare tools/scripts/votca_help2doc \ xtp/scripts/xtp_update_mapfile xtp/scripts/xtp_basisset xtp/share/benchmark/xtp_benchmark xtp/scripts/xtp_autogen_mapping \ xtp/scripts/xtp_modify_jobfile \ xtp/scripts/xtp_qmmm2qm @@ -73,6 +71,6 @@ do-test: # several tests fail, see https://github.com/votca/votca/issues/1098 ${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} ${ALL_TARGET} && \ ${SETENV} ${MAKE_ENV} ${MAKE_CMD} ${MAKE_ARGS} test -# tests as of 2025.1: 100% tests passed, 0 tests failed out of 249 +# tests as of 2026: 100% tests passed, 0 tests failed out of 248 .include diff --git a/science/votca/distinfo b/science/votca/distinfo index 2c2f89fe0252..8cb30d3bf6af 100644 --- a/science/votca/distinfo +++ b/science/votca/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1760182463 -SHA256 (votca-votca-v2025.1_GH0.tar.gz) = 85b487d2b2a31f26869be422c98f816b95c88a4ab112ea4650cccd4c2706bdbf -SIZE (votca-votca-v2025.1_GH0.tar.gz) = 41332679 +TIMESTAMP = 1775976527 +SHA256 (votca-votca-v2026_GH0.tar.gz) = bf5827e93aecdfd040131ef8427f49efac4ea87d30882c2eb83fea16a054fbc8 +SIZE (votca-votca-v2026_GH0.tar.gz) = 40248995 diff --git a/science/votca/pkg-plist b/science/votca/pkg-plist index 49e9b526866e..ed3c04a24877 100644 --- a/science/votca/pkg-plist +++ b/science/votca/pkg-plist @@ -1,6 +1,4 @@ bin/VOTCARC.bash -bin/csg_boltzmann -bin/csg_call bin/csg_density bin/csg_dlptopol bin/csg_dump @@ -8,19 +6,15 @@ bin/csg_dump bin/csg_fmatch bin/csg_gmxtopol bin/csg_imc_solve -bin/csg_inverse bin/csg_map %%APPS%%bin/csg_orientcorr %%APPS%%bin/csg_part_dist %%APPS%%bin/csg_partial_rdf -bin/csg_property %%APPS%%bin/csg_radii -bin/csg_resample bin/csg_reupdate %%APPS%%bin/csg_sphericalorder bin/csg_stat %%APPS%%bin/csg_traj_force -bin/votca_property bin/xtp_autogen_mapping bin/xtp_basisset bin/xtp_map @@ -106,7 +100,6 @@ include/votca/tools/graphdistvisitor.h include/votca/tools/graphnode.h include/votca/tools/graphvisitor.h include/votca/tools/histogram.h -include/votca/tools/histogramnew.h include/votca/tools/identity.h include/votca/tools/lexical_cast.h include/votca/tools/linalg.h @@ -278,13 +271,11 @@ lib/cmake/VOTCA_XTP/VOTCA_XTPConfigVersion.cmake lib/cmake/VOTCA_XTP/VOTCA_XTP_Targets-%%CMAKE_BUILD_TYPE%%.cmake lib/cmake/VOTCA_XTP/VOTCA_XTP_Targets.cmake lib/libvotca_csg.so -lib/libvotca_csg.so.2025 +lib/libvotca_csg.so.2026 lib/libvotca_tools.so -lib/libvotca_tools.so.2025 +lib/libvotca_tools.so.2026 lib/libvotca_xtp.so -lib/libvotca_xtp.so.2025 -share/man/man1/csg_boltzmann.1.gz -share/man/man1/csg_call.1.gz +lib/libvotca_xtp.so.2026 share/man/man1/csg_density.1.gz share/man/man1/csg_dlptopol.1.gz share/man/man1/csg_dump.1.gz @@ -292,19 +283,15 @@ share/man/man1/csg_dump.1.gz share/man/man1/csg_fmatch.1.gz share/man/man1/csg_gmxtopol.1.gz share/man/man1/csg_imc_solve.1.gz -share/man/man1/csg_inverse.1.gz share/man/man1/csg_map.1.gz %%APPS%%share/man/man1/csg_orientcorr.1.gz %%APPS%%share/man/man1/csg_part_dist.1.gz %%APPS%%share/man/man1/csg_partial_rdf.1.gz -share/man/man1/csg_property.1.gz %%APPS%%share/man/man1/csg_radii.1.gz -share/man/man1/csg_resample.1.gz share/man/man1/csg_reupdate.1.gz %%APPS%%share/man/man1/csg_sphericalorder.1.gz share/man/man1/csg_stat.1.gz %%APPS%%share/man/man1/csg_traj_force.1.gz -share/man/man1/votca_property.1.gz share/man/man1/xtp_autogen_mapping.1.gz share/man/man1/xtp_basisset.1.gz share/man/man1/xtp_map.1.gz @@ -316,692 +303,7 @@ share/man/man1/xtp_tools.1.gz share/man/man1/xtp_update_mapfile.1.gz share/man/man7/votca-csg.7.gz share/man/man7/votca-tools.7.gz -%%DATADIR%%/csg-tutorials/LJ1-LJ2/imc/LJ1-LJ1.dist.tgt -%%DATADIR%%/csg-tutorials/LJ1-LJ2/imc/LJ1-LJ2.dist.tgt -%%DATADIR%%/csg-tutorials/LJ1-LJ2/imc/LJ2-LJ2.dist.tgt -%%DATADIR%%/csg-tutorials/LJ1-LJ2/imc/conf.gro -%%DATADIR%%/csg-tutorials/LJ1-LJ2/imc/grompp.mdp -%%DATADIR%%/csg-tutorials/LJ1-LJ2/imc/index.ndx -%%DATADIR%%/csg-tutorials/LJ1-LJ2/imc/run.sh -%%DATADIR%%/csg-tutorials/LJ1-LJ2/imc/settings.xml -%%DATADIR%%/csg-tutorials/LJ1-LJ2/imc/settings_pre.xml -%%DATADIR%%/csg-tutorials/LJ1-LJ2/imc/svd.py -%%DATADIR%%/csg-tutorials/LJ1-LJ2/imc/table.xvg -%%DATADIR%%/csg-tutorials/LJ1-LJ2/imc/topol.top -%%DATADIR%%/csg-tutorials/README.rst -%%DATADIR%%/csg-tutorials/hexane/atomistic/Extract_Energies.sh -%%DATADIR%%/csg-tutorials/hexane/atomistic/boltzmann_cmds -%%DATADIR%%/csg-tutorials/hexane/atomistic/conf.gro -%%DATADIR%%/csg-tutorials/hexane/atomistic/grompp.mdp -%%DATADIR%%/csg-tutorials/hexane/atomistic/hexane.xml -%%DATADIR%%/csg-tutorials/hexane/atomistic/run.sh -%%DATADIR%%/csg-tutorials/hexane/atomistic/run_Boltzmann.sh -%%DATADIR%%/csg-tutorials/hexane/atomistic/settings.xml -%%DATADIR%%/csg-tutorials/hexane/atomistic/topol.top -%%DATADIR%%/csg-tutorials/hexane/force_matching/fmatch.xml -%%DATADIR%%/csg-tutorials/hexane/force_matching/hexane.xml -%%DATADIR%%/csg-tutorials/hexane/force_matching/run.sh -%%DATADIR%%/csg-tutorials/hexane/hybrid_force_matching/Extract_Energies.sh -%%DATADIR%%/csg-tutorials/hexane/hybrid_force_matching/README -%%DATADIR%%/csg-tutorials/hexane/hybrid_force_matching/fmatch.xml -%%DATADIR%%/csg-tutorials/hexane/hybrid_force_matching/hexane.xml -%%DATADIR%%/csg-tutorials/hexane/hybrid_force_matching/run.sh -%%DATADIR%%/csg-tutorials/hexane/hybrid_force_matching/topol.top -%%DATADIR%%/csg-tutorials/hexane/ibi_all/A-A.dist.tgt -%%DATADIR%%/csg-tutorials/hexane/ibi_all/A-B.dist.tgt -%%DATADIR%%/csg-tutorials/hexane/ibi_all/B-B.dist.tgt -%%DATADIR%%/csg-tutorials/hexane/ibi_all/Extract_Energies.sh -%%DATADIR%%/csg-tutorials/hexane/ibi_all/angle.dist.tgt -%%DATADIR%%/csg-tutorials/hexane/ibi_all/bond.dist.tgt -%%DATADIR%%/csg-tutorials/hexane/ibi_all/conf.gro -%%DATADIR%%/csg-tutorials/hexane/ibi_all/grompp.mdp -%%DATADIR%%/csg-tutorials/hexane/ibi_all/hexane_cg.xml 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-%%DATADIR%%/scripts/inverse/postupd_extrapolate.sh -%%DATADIR%%/scripts/inverse/postupd_ibi.sh -%%DATADIR%%/scripts/inverse/postupd_kbibi_correction.sh -%%DATADIR%%/scripts/inverse/postupd_pressure.sh -%%DATADIR%%/scripts/inverse/postupd_scale.sh -%%DATADIR%%/scripts/inverse/postupd_smooth.sh -%%DATADIR%%/scripts/inverse/postupd_splinesmooth.sh -%%DATADIR%%/scripts/inverse/potential_extrapolate.sh -%%DATADIR%%/scripts/inverse/potential_shift.pl -%%DATADIR%%/scripts/inverse/potential_to_dlpoly.sh -%%DATADIR%%/scripts/inverse/potential_to_generic.sh -%%DATADIR%%/scripts/inverse/potential_to_gromacs.sh -%%DATADIR%%/scripts/inverse/potential_to_lammps.sh -%%DATADIR%%/scripts/inverse/potentials_to_dlpoly.sh -%%DATADIR%%/scripts/inverse/potentials_to_generic.sh -%%DATADIR%%/scripts/inverse/pre_update_re.sh -%%DATADIR%%/scripts/inverse/prepare_generic.sh -%%DATADIR%%/scripts/inverse/prepare_generic_single.sh -%%DATADIR%%/scripts/inverse/prepare_iie.sh -%%DATADIR%%/scripts/inverse/prepare_imc.sh -%%DATADIR%%/scripts/inverse/prepare_optimizer.sh -%%DATADIR%%/scripts/inverse/prepare_optimizer_single.sh -%%DATADIR%%/scripts/inverse/prepare_re.sh -%%DATADIR%%/scripts/inverse/pressure_cor_simple.pl -%%DATADIR%%/scripts/inverse/pressure_cor_wjk.pl -%%DATADIR%%/scripts/inverse/resample_target.sh -%%DATADIR%%/scripts/inverse/run_genericsim.sh -%%DATADIR%%/scripts/inverse/run_gromacs.sh -%%DATADIR%%/scripts/inverse/simplex_downhill_processor.pl -%%DATADIR%%/scripts/inverse/skeleton.pl -%%DATADIR%%/scripts/inverse/skeleton.sh -%%DATADIR%%/scripts/inverse/start_framework.sh -%%DATADIR%%/scripts/inverse/table_average.sh -%%DATADIR%%/scripts/inverse/table_change_flag.sh -%%DATADIR%%/scripts/inverse/table_combine.pl -%%DATADIR%%/scripts/inverse/table_dummy.sh -%%DATADIR%%/scripts/inverse/table_extrapolate.pl -%%DATADIR%%/scripts/inverse/table_functional.sh -%%DATADIR%%/scripts/inverse/table_get_value.pl -%%DATADIR%%/scripts/inverse/table_integrate.pl -%%DATADIR%%/scripts/inverse/table_linearop.pl -%%DATADIR%%/scripts/inverse/table_scale.pl -%%DATADIR%%/scripts/inverse/table_smooth.pl -%%DATADIR%%/scripts/inverse/table_smooth_at_cut_off.py -%%DATADIR%%/scripts/inverse/table_switch_border.pl -%%DATADIR%%/scripts/inverse/table_to_tab.pl -%%DATADIR%%/scripts/inverse/table_to_xvg.pl -%%DATADIR%%/scripts/inverse/tables_jackknife.pl -%%DATADIR%%/scripts/inverse/tag_file.sh -%%DATADIR%%/scripts/inverse/update_ibi.sh -%%DATADIR%%/scripts/inverse/update_ibi_pot.pl -%%DATADIR%%/scripts/inverse/update_ibi_single.sh -%%DATADIR%%/scripts/inverse/update_iie.sh -%%DATADIR%%/scripts/inverse/update_imc.sh -%%DATADIR%%/scripts/inverse/update_imc_single.sh -%%DATADIR%%/scripts/inverse/update_optimizer.sh -%%DATADIR%%/scripts/inverse/update_optimizer_single.sh -%%DATADIR%%/scripts/inverse/update_re.sh %%DATADIR%%/template/CMakeLists.txt %%DATADIR%%/template/template_serial.cc %%DATADIR%%/template/template_threaded.cc