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| author | Hector Martinez-Seara | 2019-03-18 11:18:50 +0100 |
|---|---|---|
| committer | Hector Martinez-Seara | 2019-03-18 11:18:50 +0100 |
| commit | 6963bc5e9638ac38bf1a7d60a12c013b7e719b83 (patch) | |
| tree | 3510f17e44d90bc20f552b5cf2b4838634e7316b | |
| parent | bab004c6b09d42cf61ed80c57fb5dd56628e5a84 (diff) | |
| download | aur-6963bc5e9638ac38bf1a7d60a12c013b7e719b83.tar.gz | |
Adding vmd-molfile plugin support
| -rw-r--r-- | .SRCINFO | 6 | ||||
| -rw-r--r-- | PKGBUILD | 14 |
2 files changed, 15 insertions, 5 deletions
@@ -1,14 +1,16 @@ pkgbase = plumed pkgdesc = An open source plugin for free energy calculations in molecular systems which works together with some of the most popular molecular dynamics engines. pkgver = 2.5.0 - pkgrel = 1 - url = http://www.plumed-code.org/ + pkgrel = 2 + url = http://www.plumed.org/ arch = i686 arch = x86_64 license = GPL depends = lapack depends = zlib depends = gsl + depends = netcdf + optdepends = vmd-molfile-plugins: Add capability to read vmd compatible trajectories provides = plumed source = https://github.com/plumed/plumed2/releases/download/v2.5.0/plumed-2.5.0.tgz sha1sums = 0b93fcd39a4e5b1b81e24657438e3831faa53753 @@ -3,12 +3,13 @@ pkgname=plumed 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." -url="http://www.plumed-code.org/" +url="http://www.plumed.org/" license=("GPL") arch=(i686 x86_64) -depends=('lapack' 'zlib' 'gsl') +depends=('lapack' 'zlib' 'gsl' 'netcdf') +optdepends=('vmd-molfile-plugins: Add capability to read vmd compatible trajectories') makedepends=() provides=('plumed') #install=$pkgname.install @@ -16,6 +17,13 @@ source=( https://github.com/plumed/plumed2/releases/download/v${pkgver}/plumed-$ sha1sums=('0b93fcd39a4e5b1b81e24657438e3831faa53753') #options=(!buildflags) +# 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 |