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author | Drobot Viktor | 2019-04-10 19:29:59 +0300 |
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committer | Drobot Viktor | 2019-04-10 19:29:59 +0300 |
commit | 015b12f19b240722e93d5898f0d917f775c2fc72 (patch) | |
tree | eda61be49cf391b44105a14e87abdd5e6624dc41 /PKGBUILD | |
parent | 260ec0e85469063fda86fd4982cf8c6d63877f9d (diff) | |
download | aur-015b12f19b240722e93d5898f0d917f775c2fc72.tar.gz |
Fixed deps. Added vmd-molfile-plugin support
Diffstat (limited to 'PKGBUILD')
-rw-r--r-- | PKGBUILD | 12 |
1 files changed, 10 insertions, 2 deletions
@@ -2,17 +2,25 @@ pkgname=plumed-mpi pkgver=2.5.0 -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-code.org/" license=("GPL") arch=(i686 x86_64) depends=('lapack' 'zlib' 'gsl' 'openmpi') -makedepends=() +optdepends=('vmd-molfile-plugins: Add capability to read vmd compatible trajectories') +makedepends=('vim') provides=('plumed') source=( https://github.com/plumed/plumed2/releases/download/v${pkgver}/plumed-${pkgver}.tgz) sha1sums=('0b93fcd39a4e5b1b81e24657438e3831faa53753') +# Extend support for trajectory analysis to formats undestood by vmd +if [ -d "/usr/lib/vmd-molfile-plugins" ]; then + msg2 "Adding vmd-molfile plugin support" + LDFLAGS+=" -L/usr/lib/vmd-molfile-plugins -lnetcdf" + CPPFLAGS+=" -I/usr/include/vmd-molfile-plugins" +fi + build() { cd ${srcdir}/${pkgname%-mpi}-${pkgver} ./configure --prefix=/opt/${pkgname} --enable-mpi |