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author | Viktor Drobot | 2020-05-26 00:11:34 +0300 |
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committer | Viktor Drobot | 2020-05-26 00:11:34 +0300 |
commit | 9e8165dcadd472c97ce83b7dba35b788fa7f0fcb (patch) | |
tree | e930da7e2756e2353325b4b5591af980400271a7 /PKGBUILD | |
parent | c1675061af9fc5aabde3ad75e5a6caacb87230f6 (diff) | |
download | aur-9e8165dcadd472c97ce83b7dba35b788fa7f0fcb.tar.gz |
Use openmpi-gcc8 now
Diffstat (limited to 'PKGBUILD')
-rw-r--r-- | PKGBUILD | 12 |
1 files changed, 5 insertions, 7 deletions
@@ -2,12 +2,12 @@ pkgname=plumed-mpi pkgver=2.6.0 -pkgrel=1 +pkgrel=2 pkgdesc="An open source plugin for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines (with MPI support)" url="http://www.plumed.org/" -license=("GPL") +license=(GPL) arch=(i686 x86_64) -depends=('lapack' 'zlib' 'gsl' 'openmpi' 'netcdf') +depends=(lapack zlib gsl gcc8 openmpi-gcc8 netcdf) optdepends=('vmd-molfile-plugins: add capability to read vmd compatible trajectories' 'xdrfile: GROMACS trajectory format support' 'python-setuptools: Python module support' @@ -15,13 +15,12 @@ optdepends=('vmd-molfile-plugins: add capability to read vmd compatible trajecto 'graphviz: diagrams in manual' 'gawk: partial tempering support' 'plumed-patches: extra engine patches') -makedepends=('vim') +makedepends=(vim) source=(https://github.com/plumed/plumed2/releases/download/v${pkgver}/plumed-${pkgver}.tgz) sha1sums=('aa9e0eb5ff85a778f0ac4c0637e10a499f36b107') prepare() { # Extend support for trajectory analysis to formats understood by vmd (thx hseara!) - if [ -d "/usr/lib/vmd-molfile-plugins" ]; then msg2 "Adding vmd-molfile plugin support" export LDFLAGS="$LDFLAGS -L/usr/lib/vmd-molfile-plugins -lnetcdf" @@ -32,11 +31,10 @@ prepare() { build() { cd ${srcdir}/${pkgname%-mpi}-${pkgver} - ./configure --prefix=/usr --enable-mpi --enable-asmjit --program-suffix=-mpi + ./configure CC=mpicc CXX=mpic++ --prefix=/usr --enable-mpi --enable-asmjit --enable-modules=all --program-suffix=-mpi make } - package() { cd ${srcdir}/${pkgname%-mpi}-${pkgver} |