Date: Tue, 13 Jun 2023 23:21:59 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: 749238be2812 - main - =?utf-8?Q?science/gromacs:=20Update=202022.4=20=E2=86=92=202023.1?= Message-ID: <202306132321.35DNLxKl014743@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=749238be28124aedc285ab581952d082a4dce819 commit 749238be28124aedc285ab581952d082a4dce819 Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2023-06-13 23:21:41 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2023-06-13 23:21:55 +0000 science/gromacs: Update 2022.4 → 2023.1 Reported by: portscout --- science/gromacs/Makefile | 3 +-- science/gromacs/distinfo | 6 +++--- science/gromacs/pkg-plist | 44 ++++++++++++++++++++++---------------------- 3 files changed, 26 insertions(+), 27 deletions(-) diff --git a/science/gromacs/Makefile b/science/gromacs/Makefile index a920ac7ee605..db995e99b4bc 100644 --- a/science/gromacs/Makefile +++ b/science/gromacs/Makefile @@ -1,6 +1,5 @@ PORTNAME= gromacs -DISTVERSION= 2022.4 -PORTREVISION= 1 +DISTVERSION= 2023.1 CATEGORIES= science MASTER_SITES= ftp://ftp.gromacs.org/pub/gromacs/ diff --git a/science/gromacs/distinfo b/science/gromacs/distinfo index 8686cb58bbdb..fc8cfcac4e90 100644 --- a/science/gromacs/distinfo +++ b/science/gromacs/distinfo @@ -1,3 +1,3 @@ -TIMESTAMP = 1672035451 -SHA256 (gromacs-2022.4.tar.gz) = c511be602ff29402065b50906841def98752639b92a95f1b0a1060d9b5e27297 -SIZE (gromacs-2022.4.tar.gz) = 40352282 +TIMESTAMP = 1686691420 +SHA256 (gromacs-2023.1.tar.gz) = eef2bb4a6cb6314cf9da47f26df2a0d27af4bf7b3099723d43601073ab0a42f4 +SIZE (gromacs-2023.1.tar.gz) = 41934072 diff --git a/science/gromacs/pkg-plist b/science/gromacs/pkg-plist index 950e48129744..0cb8e4801e7b 100644 --- a/science/gromacs/pkg-plist +++ b/science/gromacs/pkg-plist @@ -24,7 +24,6 @@ include/gmxapi/session/resources.h include/gmxapi/status.h include/gmxapi/system.h include/gmxapi/version.h -%%LEGACY%%include/gromacs/analysisdata.h %%LEGACY%%include/gromacs/analysisdata/abstractdata.h %%LEGACY%%include/gromacs/analysisdata/analysisdata.h %%LEGACY%%include/gromacs/analysisdata/arraydata.h @@ -43,17 +42,16 @@ include/gmxapi/version.h %%LEGACY%%include/gromacs/fileio/pdbio.h %%LEGACY%%include/gromacs/fileio/tpxio.h %%LEGACY%%include/gromacs/fileio/trxio.h -include/gromacs/libgromacs_export.h -include/gromacs/math/do_fit.h -include/gromacs/math/functions.h -include/gromacs/math/units.h -include/gromacs/math/utilities.h -include/gromacs/math/vec.h -include/gromacs/math/vectypes.h +%%LEGACY%%include/gromacs/libgromacs_export.h +%%LEGACY%%include/gromacs/math/do_fit.h +%%LEGACY%%include/gromacs/math/functions.h +%%LEGACY%%include/gromacs/math/units.h +%%LEGACY%%include/gromacs/math/utilities.h +%%LEGACY%%include/gromacs/math/vec.h +%%LEGACY%%include/gromacs/math/vectypes.h include/gromacs/mdrun/simulationinputhandle.h %%LEGACY%%include/gromacs/mdtypes/inputrec.h %%LEGACY%%include/gromacs/mdtypes/md_enums.h -%%LEGACY%%include/gromacs/options.h %%LEGACY%%include/gromacs/options/abstractoption.h %%LEGACY%%include/gromacs/options/basicoptions.h %%LEGACY%%include/gromacs/options/filenameoption.h @@ -67,8 +65,7 @@ include/gromacs/mdrun/simulationinputhandle.h %%LEGACY%%include/gromacs/options/options.h %%LEGACY%%include/gromacs/options/timeunitmanager.h %%LEGACY%%include/gromacs/pbcutil/pbc.h -include/gromacs/restraint/restraintpotential.h -%%LEGACY%%include/gromacs/selection.h +%%LEGACY%%include/gromacs/restraint/restraintpotential.h %%LEGACY%%include/gromacs/selection/indexutil.h %%LEGACY%%include/gromacs/selection/nbsearch.h %%LEGACY%%include/gromacs/selection/position.h @@ -87,28 +84,28 @@ include/gromacs/restraint/restraintpotential.h %%LEGACY%%include/gromacs/topology/index.h %%LEGACY%%include/gromacs/topology/symtab.h %%LEGACY%%include/gromacs/topology/topology.h +%%LEGACY%%include/gromacs/topology/topology_enums.h %%LEGACY%%include/gromacs/trajectory/trajectoryframe.h -%%LEGACY%%include/gromacs/trajectoryanalysis.h %%LEGACY%%include/gromacs/trajectoryanalysis/analysismodule.h %%LEGACY%%include/gromacs/trajectoryanalysis/analysissettings.h %%LEGACY%%include/gromacs/trajectoryanalysis/cmdlinerunner.h %%LEGACY%%include/gromacs/trajectoryanalysis/topologyinformation.h %%LEGACY%%include/gromacs/utility/arrayref.h -include/gromacs/utility/basedefinitions.h +%%LEGACY%%include/gromacs/utility/basedefinitions.h %%LEGACY%%include/gromacs/utility/baseversion.h %%LEGACY%%include/gromacs/utility/classhelpers.h -include/gromacs/utility/current_function.h +%%LEGACY%%include/gromacs/utility/current_function.h %%LEGACY%%include/gromacs/utility/enumerationhelpers.h %%LEGACY%%include/gromacs/utility/exceptions.h %%LEGACY%%include/gromacs/utility/fileptr.h %%LEGACY%%include/gromacs/utility/flags.h %%LEGACY%%include/gromacs/utility/futil.h -include/gromacs/utility/gmxassert.h +%%LEGACY%%include/gromacs/utility/gmxassert.h %%LEGACY%%include/gromacs/utility/listoflists.h %%LEGACY%%include/gromacs/utility/pleasecite.h %%LEGACY%%include/gromacs/utility/programcontext.h %%LEGACY%%include/gromacs/utility/range.h -include/gromacs/utility/real.h +%%LEGACY%%include/gromacs/utility/real.h %%LEGACY%%include/gromacs/utility/smalloc.h %%LEGACY%%include/gromacs/utility/stringutil.h %%LEGACY%%include/gromacs/utility/unique_cptr.h @@ -148,15 +145,19 @@ include/nblib/util/setup.h include/nblib/util/traits.hpp include/nblib/util/util.hpp include/nblib/vector.h +lib/cmake/muparser/muparser-targets-%%CMAKE_BUILD_TYPE%%.cmake +lib/cmake/muparser/muparser-targets.cmake +lib/cmake/muparser/muparserConfig.cmake +lib/cmake/muparser/muparserConfigVersion.cmake lib/libgmxapi%%SUFFIX_D%%.so lib/libgmxapi%%SUFFIX_D%%.so.0 -lib/libgmxapi%%SUFFIX_D%%.so.0.3.1 +lib/libgmxapi%%SUFFIX_D%%.so.0.4.0 lib/libgromacs%%SUFFIX_D%%.so -lib/libgromacs%%SUFFIX_D%%.so.7 -lib/libgromacs%%SUFFIX_D%%.so.7.0.0 +lib/libgromacs%%SUFFIX_D%%.so.8 +lib/libgromacs%%SUFFIX_D%%.so.8.0.0 lib/libmuparser.so lib/libmuparser.so.2 -lib/libmuparser.so.2.3.2 +lib/libmuparser.so.2.3.4 lib/libnblib_gmx.so lib/libnblib_gmx.so.0 lib/libnblib_gmx.so.0.1.0 @@ -641,8 +642,8 @@ share/man/man1/gmx-dielectric.1.gz share/man/man1/gmx-dipoles.1.gz share/man/man1/gmx-disre.1.gz share/man/man1/gmx-distance.1.gz -share/man/man1/gmx-do_dssp.1.gz share/man/man1/gmx-dos.1.gz +share/man/man1/gmx-dssp.1.gz share/man/man1/gmx-dump.1.gz share/man/man1/gmx-dyecoupl.1.gz share/man/man1/gmx-editconf.1.gz @@ -713,7 +714,6 @@ share/man/man1/gmx-trjorder.1.gz share/man/man1/gmx-tune_pme.1.gz share/man/man1/gmx-vanhove.1.gz share/man/man1/gmx-velacc.1.gz -share/man/man1/gmx-view.1.gz share/man/man1/gmx-wham.1.gz share/man/man1/gmx-wheel.1.gz share/man/man1/gmx-x2top.1.gz
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