science/gromacs: update 2023.2 → 2024.1

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>

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

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
@@ -145,24 +132,19 @@ 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.0.4.0
 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
 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