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science/gromacs: update 2024.5 → 2025.0

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Reported by:	portscout
This commit is contained in:
Yuri Victorovich 2025-02-13 00:41:18 -08:00
parent 6f43754744
commit 9848e10166
3 changed files with 14 additions and 10 deletions
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11
science/gromacs/Makefile
View file

@ -1,5 +1,5 @@
PORTNAME= gromacs
DISTVERSION= 2024.5
DISTVERSION= 2025.0
CATEGORIES= science
MASTER_SITES= https://ftp.gromacs.org/pub/gromacs/
DISTFILES= ${DISTNAME}${EXTRACT_SUFX} # only for googletest
@ -7,6 +7,7 @@ DISTFILES= ${DISTNAME}${EXTRACT_SUFX} # only for googletest
MAINTAINER= yuri@FreeBSD.org
COMMENT= Compute molecular dynamics
WWW= https://www.gromacs.org \
https://gitlab.com/gromacs/gromacs \
https://github.com/gromacs/gromacs
LICENSE= LGPL21
@ -15,6 +16,9 @@ LICENSE_FILE= ${WRKSRC}/COPYING
BROKEN_i386= undefined reference to `__atomic_load' and `__atomic_compare_exchange' #`
BUILD_DEPENDS= boost-libs>=1.44:devel/boost-libs
LIB_DEPENDS= liblmfit.so:math/lmfit \
libmuparser.so:math/muparser
# TODO tng
USES= cmake compiler:c++17-lang gnome pathfix perl5 pkgconfig \
python:build shebangfix
@ -29,7 +33,10 @@ bash_CMD= ${SH}
CMAKE_OFF= GMX_USE_RDTSCP \
USE_PYTHON_SCRIPTS
CMAKE_ARGS= -DPython_EXECUTABLE=${PYTHON_CMD} \
-DPython3_EXECUTABLE=${PYTHON_CMD}
-DPython3_EXECUTABLE=${PYTHON_CMD} \
-DGMX_USE_MUPARSER=EXTERNAL \
-DGMX_USE_PLUMED=ON \
-DGMX_USE_LMFIT=EXTERNAL
TEST_TARGET= check

6
science/gromacs/distinfo
View file

@ -1,3 +1,3 @@
TIMESTAMP = 1737871794
SHA256 (gromacs-2024.5.tar.gz) = fecf06b186cddb942cfb42ee8da5f3eb2b9993e6acc0a2f18d14ac0b014424f3
SIZE (gromacs-2024.5.tar.gz) = 42353127
TIMESTAMP = 1739341467
SHA256 (gromacs-2025.0.tar.gz) = a27ad35a646295bbec129abe684d9d03d1e2e0bd76b0d625e9055746aaefae82
SIZE (gromacs-2025.0.tar.gz) = 44417653

7
science/gromacs/pkg-plist
View file

@ -136,11 +136,8 @@ 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.9
lib/libgromacs%%SUFFIX_D%%.so.9.0.0
lib/libmuparser.so
lib/libmuparser.so.2
lib/libmuparser.so.2.3.4
lib/libgromacs%%SUFFIX_D%%.so.10
lib/libgromacs%%SUFFIX_D%%.so.10.0.0
lib/libnblib_gmx.so
lib/libnblib_gmx.so.0
lib/libnblib_gmx.so.0.1.0