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science/gromacs: update 2023.2 → 2024.1

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This commit is contained in:
Yuri Victorovich 2024-03-28 20:35:43 -07:00
parent cd288d54aa
commit 2d3d49352e
3 changed files with 13 additions and 29 deletions
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6
science/gromacs/Makefile
View File

@ -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>

6
science/gromacs/distinfo
View File

@ -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

30
science/gromacs/pkg-plist
View File

@ -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