science/gromacs: Update 2022.1 -> 2022.2

Reported by: portscout
freebsd · Jun 17, 2022 · 1508a7e · 1508a7e
1 parent f8aaa96
commit 1508a7e
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Showing 3 changed files with 11 additions and 7 deletions.
diff --git a/science/gromacs/Makefile b/science/gromacs/Makefile
@@ -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

diff --git a/science/gromacs/distinfo b/science/gromacs/distinfo
@@ -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
diff --git a/science/gromacs/pkg-plist b/science/gromacs/pkg-plist
@@ -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