diff options
| author | Hector Mtz-Seara | 2015-09-11 15:37:11 +0200 |
|---|---|---|
| committer | Hector Mtz-Seara | 2015-09-11 15:37:11 +0200 |
| commit | 2217dc08248992416fa71cac32d4cf5412f7a450 (patch) | |
| tree | 9298f8184ccd31bc17ea7e033dd74004d36f0691 | |
| download | aur-2217dc08248992416fa71cac32d4cf5412f7a450.tar.gz | |
Initial import
| -rw-r--r-- | .SRCINFO | 13 | ||||
| -rw-r--r-- | PKGBUILD | 20 |
2 files changed, 33 insertions, 0 deletions
diff --git a/.SRCINFO b/.SRCINFO new file mode 100644 index 000000000000..caefa6d93b58 --- /dev/null +++ b/.SRCINFO @@ -0,0 +1,13 @@ +pkgbase = gromacs-charmm36 + pkgdesc = CHARMM36 force field in GROMACS format. + pkgver = 201411 + pkgrel = 1 + url = http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs + arch = any + license = GPL + depends = gromacs + source = http://mackerell.umaryland.edu/download.php?filename=CHARMM_ff_params_files/charmm36-nov2014.ff.tgz + sha1sums = abdccbe077e85ad74bbeb4753617ea748aee5e24 + +pkgname = gromacs-charmm36 + diff --git a/PKGBUILD b/PKGBUILD new file mode 100644 index 000000000000..7103c105213d --- /dev/null +++ b/PKGBUILD @@ -0,0 +1,20 @@ +# Maintainer: Hector <hsearaDOTatDOTgmailDOTcom> + +pkgname=gromacs-charmm36 +pkgver=201411 +pkgrel=1 +pkgdesc='CHARMM36 force field in GROMACS format.' +url='http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs' +license=("GPL") +arch=('any') +depends=("gromacs") +source=(http://mackerell.umaryland.edu/download.php?filename=CHARMM_ff_params_files/charmm36-nov2014.ff.tgz) +sha1sums=('abdccbe077e85ad74bbeb4753617ea748aee5e24') + + +package() { + msg2 "Installing charmm36 forcefield files in Gromacs" + mkdir -p ${pkgdir}/usr/share/gromacs/top/charmm36.ff + cp ${srcdir}/charmm36-nov2014.ff/* ${pkgdir}/usr/share/gromacs/top/charmm36.ff/ + chmod 644 ${pkgdir}/usr/share/gromacs/top/charmm36.ff/* +} |