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author | Hector Mtz-Seara | 2016-01-20 11:50:46 +0100 |
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committer | Hector Mtz-Seara | 2016-01-20 11:50:46 +0100 |
commit | f19327b82c272b03365fadd10011ac2d2b97d7b6 (patch) | |
tree | 165a000f8d4d0f160e56c0399b337d680cb2c498 | |
parent | 2217dc08248992416fa71cac32d4cf5412f7a450 (diff) | |
download | aur-f19327b82c272b03365fadd10011ac2d2b97d7b6.tar.gz |
Update gromacs-charmm36-201506-1 Add support for gromacs 5.1
-rw-r--r-- | .SRCINFO | 8 | ||||
-rw-r--r-- | PKGBUILD | 8 |
2 files changed, 9 insertions, 7 deletions
@@ -1,13 +1,15 @@ +# Generated by mksrcinfo v8 +# Wed Jan 20 10:42:07 UTC 2016 pkgbase = gromacs-charmm36 pkgdesc = CHARMM36 force field in GROMACS format. - pkgver = 201411 + pkgver = 201506 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 + source = http://mackerell.umaryland.edu/download.php?filename=CHARMM_ff_params_files/charmm36-jun2015.ff.tgz + sha1sums = 817914bf79d2edee98569a31eebc93c2d03e1d9b pkgname = gromacs-charmm36 @@ -1,20 +1,20 @@ # Maintainer: Hector <hsearaDOTatDOTgmailDOTcom> pkgname=gromacs-charmm36 -pkgver=201411 +pkgver=201506 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') +source=(http://mackerell.umaryland.edu/download.php?filename=CHARMM_ff_params_files/charmm36-jun2015.ff.tgz) +sha1sums=('817914bf79d2edee98569a31eebc93c2d03e1d9b') 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/ + cp ${srcdir}/charmm36-*/* ${pkgdir}/usr/share/gromacs/top/charmm36.ff/ chmod 644 ${pkgdir}/usr/share/gromacs/top/charmm36.ff/* } |