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# PKGBUILD template to install Espresso
# Maintainer: Hector Martinez-Seara Monne <hseara ##[at]## gmail?com>
pkgname=plumed
pkgver=2.6.0
pkgrel=1
pkgdesc="An open source plugin for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines."
url="http://www.plumed.org/"
license=("GPL")
arch=("x86_64")
depends=('lapack' 'zlib' 'gsl' 'netcdf' 'gcc8')
optdepends=('vmd-molfile-plugins: Add capability to read vmd compatible trajectories')
makedepends=('vim')
provides=('plumed')
#install=$pkgname.install
source=( https://github.com/plumed/plumed2/releases/download/v${pkgver}/plumed-${pkgver}.tgz)
sha256sums=('8a760a637225eeb97e84b748e992ebc0730f71cdb4737af545445132380bfff9')
#options=(!buildflags)
#Using gcc8 as compiler due to linking problems with gromacs-plumed
export CC=gcc-8
export CXX=g++-8
# 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}-${pkgver}
./configure --prefix=/usr --disable-mpi
make
}
package() {
cd ${srcdir}/${pkgname}-${pkgver}
make DESTDIR=${pkgdir} install
}
### Please Remember to set the following environment variable ###
# PLUMED_KERNEL=/usr/lib/libplumedKernel.so"
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