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science/gromacs: Update 2022.1 -> 2022.2

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Reported by:	portscout
This commit is contained in:
Yuri Victorovich 2022-06-17 10:03:55 -07:00
parent f8aaa96a61
commit 1508a7e985
3 changed files with 11 additions and 7 deletions
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11
science/gromacs/Makefile
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@ -1,7 +1,7 @@
# Created by: Stephen Montgomery-Smith <stephen@math.missouri.edu>
PORTNAME= gromacs
DISTVERSION= 2022.1
DISTVERSION= 2022.2
CATEGORIES= science
MASTER_SITES= ftp://ftp.gromacs.org/pub/gromacs/
@ -16,13 +16,16 @@ BROKEN_i386= undefined reference to `__atomic_load' and `__atomic_compare_exchan
BUILD_DEPENDS= boost-libs>=1.44:devel/boost-libs
LIB_DEPENDS= libhwloc.so:devel/hwloc2
USES= cmake compiler:c++17-lang fortran gnome perl5 pkgconfig shebangfix xorg
USES= cmake compiler:c++17-lang fortran gnome perl5 pkgconfig python:build shebangfix xorg
USE_GNOME= libxml2
USE_LDCONFIG= yes
SHEBANG_FILES= admin/*.sh scripts/*.pl scripts/*.sh src/gromacs/selection/*.sh
bash_CMD= ${SH}
USE_GNOME= libxml2
CMAKE_OFF= GMX_USE_RDTSCP \
USE_PYTHON_SCRIPTS
USE_LDCONFIG= yes
CMAKE_ARGS= -DPython3_EXECUTABLE=${PYTHON_CMD}
OPTIONS_DEFINE= ATLAS FLOAT LEGACY OPENCL OPENMP SIMD X11
OPTIONS_SINGLE= MP

6
science/gromacs/distinfo
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@ -1,3 +1,3 @@
TIMESTAMP = 1651109042
SHA256 (gromacs-2022.1.tar.gz) = 85ddab5197d79524a702c4959c2c43be875e0fc471df3a35224939dce8512450
SIZE (gromacs-2022.1.tar.gz) = 40375423
TIMESTAMP = 1655481665
SHA256 (gromacs-2022.2.tar.gz) = 656404f884d2fa2244c97d2a5b92af148d0dbea94ad13004724b3fcbf45e01bf
SIZE (gromacs-2022.2.tar.gz) = 40350604

1
science/gromacs/pkg-plist
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@ -43,6 +43,7 @@ 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