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gromacs: update to 2016.5

Notice that gromacs-plumed patch is done on gromacs 2016.4. However,
the two patches are compatible, so patch for 2016.4 can be used on 2016.5.
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GiovanniBussi authored and pmetzger committed Mar 21, 2018
1 parent 0b06097 commit f0c7cb4890944612e6a9b163c4830f49346692b7
Showing with 5 additions and 5 deletions.
  1. +5 −5 science/gromacs/Portfile
@@ -11,7 +11,7 @@ PortGroup linear_algebra 1.0

name gromacs
# not all versions have patches available for plumed; subport's patch will fail if not there
version 2016.4
version 2016.5
revision 1
categories science math
license LGPL-2.1
@@ -31,9 +31,9 @@ homepage http://www.gromacs.org/
master_sites http://ftp.gromacs.org/pub/gromacs

# md5 published at http://www.gromacs.org/Downloads
checksums rmd160 76d85579ae322ef61e7382984e66f48f63d1cba9 \
sha256 4be9d3bfda0bdf3b5c53041e0b8344f7d22b75128759d9bfa9442fe65c289264 \
md5 19c8b5c85f3ec62df79d2249a3c272f8
checksums rmd160 10d8808e8c5b04702d83f385f78c0d9effdfa266 \
sha256 57db26c6d9af84710a1e0c47a1f5bf63a22641456448dcd2eeb556ebd14e0b7c \
md5 f41807e5b2911ccb547a3fd11f105d47

depends_build-append \
port:pkgconfig
@@ -113,7 +113,7 @@ subport gromacs-plumed {
# override the choice setting the PLUMED_KERNEL environment variable.
# Also notice that gromacs version is hardcoded here. Plumed patch is not always
# updated when gromacs is.
exec ${prefix}/bin/plumed patch --mdroot=${worksrcpath} -e gromacs-${version} --runtime -p
exec ${prefix}/bin/plumed patch --mdroot=${worksrcpath} -e gromacs-2016.4 --runtime -p
}
notes "
PLUMED is linked with runtime binding. By setting the environment variable PLUMED_KERNEL\

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