blob: 0916091c1f26d15d303c308aac4b6e940f1f01da (
plain)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
|
# Maintainer: Viktor Drobot (aka dviktor) linux776 [at] gmail [dot] com
pkgname=plumed-mpi
pkgver=2.5.1
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')
optdepends=('vmd-molfile-plugins: Add capability to read vmd compatible trajectories')
makedepends=('vim')
source=( https://github.com/plumed/plumed2/releases/download/v${pkgver}/plumed-${pkgver}.tgz)
sha1sums=('e3af8b82c08781b738137727e0b30c06cef7179f')
# 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=/usr --enable-mpi --program-suffix=-mpi
make
}
package() {
cd ${srcdir}/${pkgname%-mpi}-${pkgver}
make DESTDIR=${pkgdir} install
}
|