Date: Tue, 21 Jan 2025 16:08:23 GMT From: Yuri Victorovich <yuri@FreeBSD.org> To: ports-committers@FreeBSD.org, dev-commits-ports-all@FreeBSD.org, dev-commits-ports-main@FreeBSD.org Subject: git: 7152bd700722 - main - =?utf-8?Q?science/plumed: update 2.8.0 =E2=86=92 2.9.3?= Message-ID: <202501211608.50LG8Ncw073301@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=7152bd700722cae852dd889f89ad667dfc2939cf commit 7152bd700722cae852dd889f89ad667dfc2939cf Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2025-01-21 16:08:05 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2025-01-21 16:08:20 +0000 science/plumed: update 2.8.0 → 2.9.3 --- science/plumed/Makefile | 5 +- science/plumed/distinfo | 6 +- science/plumed/pkg-plist | 229 +++++++++++++++++++++++++++++++++-------------- 3 files changed, 168 insertions(+), 72 deletions(-) diff --git a/science/plumed/Makefile b/science/plumed/Makefile index cf0ec9948065..0e8a83c8fcfe 100644 --- a/science/plumed/Makefile +++ b/science/plumed/Makefile @@ -1,6 +1,5 @@ PORTNAME= plumed -DISTVERSION= 2.8.0 -PORTREVISION= 2 +DISTVERSION= 2.9.3 CATEGORIES= science graphics MASTER_SITES= https://github.com/${PORTNAME}/${PORTNAME}2/releases/download/v${DISTVERSION}/ @@ -46,4 +45,6 @@ post-install: @${RMDIR} ${STAGEDIR}${PREFIX}/lib/plumed/obj @cd ${STAGEDIR}${PREFIX} && ${STRIP_CMD} bin/plumed lib/plumed/plumed-runtime lib/libplumed.so lib/libplumedKernel.so +# tests as of 2.9.3: 277 tests performed, 352 tests not applicable + .include <bsd.port.mk> diff --git a/science/plumed/distinfo b/science/plumed/distinfo index 7f199b706e8b..578262619f8a 100644 --- a/science/plumed/distinfo +++ b/science/plumed/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1652729274 -SHA256 (plumed-2.8.0.tgz) = 24b243c531fa83752be5e54f5f0b677164855da539bc2b2c5b00dcc9f192aa82 -SIZE (plumed-2.8.0.tgz) = 107630231 +TIMESTAMP = 1737474140 +SHA256 (plumed-2.9.3.tgz) = 2ba5095bc7c7cfde1ca95780c1240d852b7dc1b00c9de5b31e607120449ff827 +SIZE (plumed-2.9.3.tgz) = 118993592 diff --git a/science/plumed/pkg-plist b/science/plumed/pkg-plist index ce031e5ccc6b..5e12bcbf2910 100644 --- a/science/plumed/pkg-plist +++ b/science/plumed/pkg-plist @@ -84,6 +84,7 @@ include/plumed/core/FlexibleBin.h include/plumed/core/GREX.h include/plumed/core/GenericMolInfo.h include/plumed/core/MDAtoms.h +include/plumed/core/ModuleMap.h include/plumed/core/PlumedMain.h include/plumed/core/PlumedMainInitializer.h include/plumed/core/TargetDist.h @@ -226,74 +227,145 @@ lib/libplumedKernel.so lib/libplumedWrapper.a lib/plumed/fortran/plumed.f90 lib/plumed/fortran/plumed_f08.f90 +lib/plumed/json/syntax.json lib/plumed/modulefile -lib/plumed/patches/gromacs-2019.6.config -lib/plumed/patches/gromacs-2019.6.diff/src/gromacs/CMakeLists.txt -lib/plumed/patches/gromacs-2019.6.diff/src/gromacs/CMakeLists.txt.preplumed -lib/plumed/patches/gromacs-2019.6.diff/src/gromacs/mdlib/force.cpp -lib/plumed/patches/gromacs-2019.6.diff/src/gromacs/mdlib/force.cpp.preplumed -lib/plumed/patches/gromacs-2019.6.diff/src/gromacs/mdrun/legacymdrunoptions.cpp -lib/plumed/patches/gromacs-2019.6.diff/src/gromacs/mdrun/legacymdrunoptions.cpp.preplumed -lib/plumed/patches/gromacs-2019.6.diff/src/gromacs/mdrun/legacymdrunoptions.h 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+lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/rerun.cpp +lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/rerun.cpp.preplumed +lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/runner.cpp +lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/mdrun/runner.cpp.preplumed +lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp +lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/modularsimulator/expandedensembleelement.cpp.preplumed +lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/taskassignment/decidegpuusage.cpp +lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/taskassignment/decidegpuusage.cpp.preplumed +lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h +lib/plumed/patches/gromacs-2024.3.diff/src/gromacs/taskassignment/include/gromacs/taskassignment/decidegpuusage.h.preplumed lib/plumed/patches/namd-2.12.config lib/plumed/patches/namd-2.12.diff lib/plumed/patches/namd-2.13.config @@ -319,6 +391,28 @@ lib/plumed/patches/qespresso-6.2.diff/PW/src/plugin_initialization.f90 lib/plumed/patches/qespresso-6.2.diff/PW/src/plugin_initialization.f90.preplumed lib/plumed/patches/qespresso-6.2.diff/PW/src/run_pwscf.f90 lib/plumed/patches/qespresso-6.2.diff/PW/src/run_pwscf.f90.preplumed +lib/plumed/patches/qespresso-7.0.config +lib/plumed/patches/qespresso-7.0.diff/Modules/Makefile +lib/plumed/patches/qespresso-7.0.diff/Modules/Makefile.preplumed +lib/plumed/patches/qespresso-7.0.diff/PW/src/forces.f90 +lib/plumed/patches/qespresso-7.0.diff/PW/src/forces.f90.preplumed +lib/plumed/patches/qespresso-7.0.diff/PW/src/plugin_ext_forces.f90 +lib/plumed/patches/qespresso-7.0.diff/PW/src/plugin_ext_forces.f90.preplumed +lib/plumed/patches/qespresso-7.0.diff/PW/src/plugin_initialization.f90 +lib/plumed/patches/qespresso-7.0.diff/PW/src/plugin_initialization.f90.preplumed +lib/plumed/patches/qespresso-7.0.diff/PW/src/run_pwscf.f90 +lib/plumed/patches/qespresso-7.0.diff/PW/src/run_pwscf.f90.preplumed +lib/plumed/patches/qespresso-7.2.config +lib/plumed/patches/qespresso-7.2.diff/Modules/Makefile +lib/plumed/patches/qespresso-7.2.diff/Modules/Makefile.preplumed +lib/plumed/patches/qespresso-7.2.diff/PW/src/forces.f90 +lib/plumed/patches/qespresso-7.2.diff/PW/src/forces.f90.preplumed +lib/plumed/patches/qespresso-7.2.diff/PW/src/plugin_ext_forces.f90 +lib/plumed/patches/qespresso-7.2.diff/PW/src/plugin_ext_forces.f90.preplumed +lib/plumed/patches/qespresso-7.2.diff/PW/src/plugin_initialization.f90 +lib/plumed/patches/qespresso-7.2.diff/PW/src/plugin_initialization.f90.preplumed +lib/plumed/patches/qespresso-7.2.diff/PW/src/run_pwscf.f90 +lib/plumed/patches/qespresso-7.2.diff/PW/src/run_pwscf.f90.preplumed lib/plumed/plumed-config lib/plumed/plumed-mklib lib/plumed/plumed-newcv @@ -486,6 +580,7 @@ lib/plumed/vim/help/REWEIGHT_METAD.txt lib/plumed/vim/help/REWEIGHT_TEMP_PRESS.txt lib/plumed/vim/help/REWEIGHT_WHAM.txt lib/plumed/vim/help/RMSD.txt +lib/plumed/vim/help/SANS.txt lib/plumed/vim/help/SAXS.txt lib/plumed/vim/help/SELECT.txt lib/plumed/vim/help/SELECTOR.txt
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