diff options
| author | Hector Martinez-Seara | 2019-01-27 18:31:24 +0100 |
|---|---|---|
| committer | Hector Martinez-Seara | 2019-01-27 18:31:24 +0100 |
| commit | 2270969e9f69212ced9c8adb26dc9318e9232f7d (patch) | |
| tree | 2d9fcdcd98231c4b98a2a85c7db83005ff1c29ea /PKGBUILD | |
| parent | ca7baa9e825b040e476c069d9cb311b574da7ef4 (diff) | |
| download | aur-gromacs-5.1-complete-charmm36.tar.gz | |
Updated to nov2018 version
Diffstat (limited to 'PKGBUILD')
| -rw-r--r-- | PKGBUILD | 8 |
1 files changed, 4 insertions, 4 deletions
@@ -1,7 +1,7 @@ # Maintainer: Hector <hsearaDOTatDOTgmailDOTcom> pkgname=gromacs-5.1-complete-charmm36 -pkgver=201707 +pkgver=201811 _gromacs_ver=5.1.5 pkgrel=1 pkgdesc='CHARMM36 force field in GROMACS format.' @@ -9,13 +9,13 @@ url='http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs' license=("GPL") arch=('any') depends=("gromacs-5.1-complete=${_gromacs_ver}") -source=(http://mackerell.umaryland.edu/download.php?filename=CHARMM_ff_params_files/charmm36-jul2017.ff.tgz) -sha1sums=('b5881c571da0fe3cf064fb4643e0428ad48bbf1c') +source=(http://mackerell.umaryland.edu/download.php?filename=CHARMM_ff_params_files/charmm36-nov2018.ff.tgz) +sha1sums=('b953246b458cc6f4ed5bf5ebb761adf5807f6356') package() { msg2 "Installing charmm36 forcefield files in Gromacs" mkdir -p ${pkgdir}/usr/local/gromacs/gromacs-${_gromacs_ver}/share/gromacs/top/charmm36.ff - cp ${srcdir}/charmm36-jun2015.ff/* ${pkgdir}/usr/local/gromacs/gromacs-${_gromacs_ver}/share/gromacs/top/charmm36.ff/ + cp ${srcdir}/charmm36-*/* ${pkgdir}/usr/local/gromacs/gromacs-${_gromacs_ver}/share/gromacs/top/charmm36.ff/ chmod 644 ${pkgdir}/usr/local/gromacs/gromacs-${_gromacs_ver}/share/gromacs/top/charmm36.ff/* } |