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authorHector Martinez-Seara2019-01-27 19:45:37 +0100
committerHector Martinez-Seara2019-01-27 19:45:37 +0100
commite43ef991e257c34b146d550d5b39c43bb7766e09 (patch)
tree129e3ee3aa2df52ba632eab3138313cd3feaed20
parentf2e476b25f76885470a22f226d86987fc76aaebf (diff)
downloadaur-e43ef991e257c34b146d550d5b39c43bb7766e09.tar.gz
Updated to nov2018 version
-rw-r--r--.SRCINFO6
-rw-r--r--PKGBUILD8
2 files changed, 7 insertions, 7 deletions
diff --git a/.SRCINFO b/.SRCINFO
index 1fb626a673c6..6c022ef3127f 100644
--- a/.SRCINFO
+++ b/.SRCINFO
@@ -1,13 +1,13 @@
pkgbase = gromacs-5.0-complete-charmm36
pkgdesc = CHARMM36 force field in GROMACS format.
- pkgver = 201411
- pkgrel = 2
+ pkgver = 201811
+ pkgrel = 1
url = http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs
arch = any
license = GPL
depends = gromacs-5.0-complete=5.0.7
source = http://mackerell.umaryland.edu/download.php?filename=CHARMM_ff_params_files/charmm36-nov2014.ff.tgz
- sha1sums = abdccbe077e85ad74bbeb4753617ea748aee5e24
+ sha1sums = b953246b458cc6f4ed5bf5ebb761adf5807f6356
pkgname = gromacs-5.0-complete-charmm36
diff --git a/PKGBUILD b/PKGBUILD
index 06daa1e3080c..d9859a8be5e3 100644
--- a/PKGBUILD
+++ b/PKGBUILD
@@ -1,21 +1,21 @@
# Maintainer: Hector <hsearaDOTatDOTgmailDOTcom>
pkgname=gromacs-5.0-complete-charmm36
-pkgver=201411
+pkgver=201811
_gromacs_ver=5.0.7
-pkgrel=2
+pkgrel=1
pkgdesc='CHARMM36 force field in GROMACS format.'
url='http://mackerell.umaryland.edu/charmm_ff.shtml#gromacs'
license=("GPL")
arch=('any')
depends=("gromacs-5.0-complete=${_gromacs_ver}")
source=(http://mackerell.umaryland.edu/download.php?filename=CHARMM_ff_params_files/charmm36-nov2014.ff.tgz)
-sha1sums=('abdccbe077e85ad74bbeb4753617ea748aee5e24')
+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-nov2014.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/*
}