Date: Fri, 29 Mar 2024 16:06:12 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: 2d3d49352ef7 - main - science/gromacs: update 2023.2 =?utf-8?Q?=E2=86=92?= 2024.1 Message-ID: <202403291606.42TG6CIg063315@gitrepo.freebsd.org>
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The branch main has been updated by yuri: URL: https://cgit.FreeBSD.org/ports/commit/?id=2d3d49352ef756b19c264610c80ac81661f0a58f commit 2d3d49352ef756b19c264610c80ac81661f0a58f Author: Yuri Victorovich <yuri@FreeBSD.org> AuthorDate: 2024-03-29 03:35:43 +0000 Commit: Yuri Victorovich <yuri@FreeBSD.org> CommitDate: 2024-03-29 16:06:08 +0000 science/gromacs: update 2023.2 → 2024.1 --- science/gromacs/Makefile | 6 ++---- science/gromacs/distinfo | 6 +++--- science/gromacs/pkg-plist | 30 ++++++++---------------------- 3 files changed, 13 insertions(+), 29 deletions(-) diff --git a/science/gromacs/Makefile b/science/gromacs/Makefile index f9d1edadcd91..092fd88d9f0a 100644 --- a/science/gromacs/Makefile +++ b/science/gromacs/Makefile @@ -1,6 +1,5 @@ PORTNAME= gromacs -DISTVERSION= 2023.2 -PORTREVISION= 2 +DISTVERSION= 2024.1 CATEGORIES= science MASTER_SITES= https://ftp.gromacs.org/pub/gromacs/ DISTFILES= ${DISTNAME}${EXTRACT_SUFX} # only for googletest @@ -18,7 +17,6 @@ BUILD_DEPENDS= boost-libs>=1.44:devel/boost-libs USES= cmake compiler:c++17-lang gnome pathfix perl5 pkgconfig \ python:build shebangfix -USE_GCC= yes # clang fails: https://gitlab.com/gromacs/gromacs/-/issues/4909 USE_GNOME= libxml2 USE_LDCONFIG= yes @@ -118,6 +116,6 @@ post-patch: @${REINPLACE_CMD} -e '/CMAKE_REQUIRED_LIBRARIES/d' \ ${WRKSRC}/cmake/gmxTestdlopen.cmake -# tests fail to compile, see https://gitlab.com/gromacs/gromacs/-/issues/4825 +# tests fail to compile, see https://gitlab.com/gromacs/gromacs/-/issues/5046 .include <bsd.port.mk> diff --git a/science/gromacs/distinfo b/science/gromacs/distinfo index 1b7c30fa9b05..4fb8730e39d5 100644 --- a/science/gromacs/distinfo +++ b/science/gromacs/distinfo @@ -1,5 +1,5 @@ -TIMESTAMP = 1689290012 -SHA256 (gromacs-2023.2.tar.gz) = bce1480727e4b2bb900413b75d99a3266f3507877da4f5b2d491df798f9fcdae -SIZE (gromacs-2023.2.tar.gz) = 41930578 +TIMESTAMP = 1711660510 +SHA256 (gromacs-2024.1.tar.gz) = 937d8f12a36fffbf2af7add71adbb5aa5c5537892d46c9a76afbecab1aa0aac7 +SIZE (gromacs-2024.1.tar.gz) = 42324773 SHA256 (google-googletest-v1.13.0_GH0.tar.gz) = ad7fdba11ea011c1d925b3289cf4af2c66a352e18d4c7264392fead75e919363 SIZE (google-googletest-v1.13.0_GH0.tar.gz) = 862871 diff --git a/science/gromacs/pkg-plist b/science/gromacs/pkg-plist index 131720261d2b..ea41292d1500 100644 --- a/science/gromacs/pkg-plist +++ b/science/gromacs/pkg-plist @@ -110,19 +110,6 @@ include/gromacs/mdrun/simulationinputhandle.h %%LEGACY%%include/gromacs/utility/stringutil.h %%LEGACY%%include/gromacs/utility/unique_cptr.h %%LEGACY%%include/gromacs/version.h -include/muParser.h -include/muParserBase.h -include/muParserBytecode.h -include/muParserCallback.h -include/muParserDLL.h -include/muParserDef.h -include/muParserError.h -include/muParserFixes.h -include/muParserInt.h -include/muParserTemplateMagic.h -include/muParserTest.h -include/muParserToken.h -include/muParserTokenReader.h include/nblib/basicdefinitions.h include/nblib/box.h include/nblib/exception.h @@ -145,16 +132,12 @@ 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.0.4.0 lib/libgromacs%%SUFFIX_D%%.so -lib/libgromacs%%SUFFIX_D%%.so.8 -lib/libgromacs%%SUFFIX_D%%.so.8.0.0 +lib/libgromacs%%SUFFIX_D%%.so.9 +lib/libgromacs%%SUFFIX_D%%.so.9.0.0 lib/libmuparser.so lib/libmuparser.so.2 lib/libmuparser.so.2.3.4 @@ -162,7 +145,6 @@ lib/libnblib_gmx.so lib/libnblib_gmx.so.0 lib/libnblib_gmx.so.0.1.0 libdata/pkgconfig/libgromacs%%SUFFIX_D%%.pc -libdata/pkgconfig/muparser.pc share/cmake/gmxapi/gmxapi-config-version.cmake share/cmake/gmxapi/gmxapi-config.cmake share/cmake/gmxapi/gmxapi-%%CMAKE_BUILD_TYPE%%.cmake @@ -606,6 +588,7 @@ share/cmake/gromacs%%SUFFIX_D%%/libgromacs.cmake %%DATADIR%%/top/residues.dtd %%DATADIR%%/top/residues.xml %%DATADIR%%/top/residuetypes.dat +%%DATADIR%%/top/scatteringfactors.dat %%DATADIR%%/top/sfactor.dat %%DATADIR%%/top/spc.itp %%DATADIR%%/top/spc216.gro @@ -664,8 +647,10 @@ share/man/man1/gmx-genconf.1.gz share/man/man1/gmx-genion.1.gz share/man/man1/gmx-genrestr.1.gz share/man/man1/gmx-grompp.1.gz +share/man/man1/gmx-gyrate-legacy.1.gz share/man/man1/gmx-gyrate.1.gz share/man/man1/gmx-h2order.1.gz +share/man/man1/gmx-hbond-legacy.1.gz share/man/man1/gmx-hbond.1.gz share/man/man1/gmx-helix.1.gz share/man/man1/gmx-helixorient.1.gz @@ -701,9 +686,10 @@ share/man/man1/gmx-rmsf.1.gz share/man/man1/gmx-rotacf.1.gz share/man/man1/gmx-rotmat.1.gz share/man/man1/gmx-saltbr.1.gz -share/man/man1/gmx-sans.1.gz +share/man/man1/gmx-sans-legacy.1.gz share/man/man1/gmx-sasa.1.gz -share/man/man1/gmx-saxs.1.gz +share/man/man1/gmx-saxs-legacy.1.gz +share/man/man1/gmx-scattering.1.gz share/man/man1/gmx-select.1.gz share/man/man1/gmx-sham.1.gz share/man/man1/gmx-sigeps.1.gz
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