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authorHector Mtz-Seara2016-01-20 11:50:46 +0100
committerHector Mtz-Seara2016-01-20 11:50:46 +0100
commitf19327b82c272b03365fadd10011ac2d2b97d7b6 (patch)
tree165a000f8d4d0f160e56c0399b337d680cb2c498
parent2217dc08248992416fa71cac32d4cf5412f7a450 (diff)
downloadaur-f19327b82c272b03365fadd10011ac2d2b97d7b6.tar.gz
Update gromacs-charmm36-201506-1 Add support for gromacs 5.1
-rw-r--r--.SRCINFO8
-rw-r--r--PKGBUILD8
2 files changed, 9 insertions, 7 deletions
diff --git a/.SRCINFO b/.SRCINFO
index caefa6d93b58..dae29501f559 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -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
diff --git a/PKGBUILD b/PKGBUILD
index 7103c105213d..a98c915ee4ea 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -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/*
}