Initial import

2 files changed, 34 insertions, 0 deletions

diff --git a/.SRCINFO b/.SRCINFO
new file mode 100644
index 000000000000..505e34bf43da
--- /dev/null
+++ b/.SRCINFO
@@ -0,0 +1,13 @@
+pkgbase = gromacs-5.0-complete-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-5.0-complete=5.0.6
+	source = http://mackerell.umaryland.edu/download.php?filename=CHARMM_ff_params_files/charmm36-nov2014.ff.tgz
+	sha1sums = abdccbe077e85ad74bbeb4753617ea748aee5e24
+
+pkgname = gromacs-5.0-complete-charmm36
+
diff --git a/PKGBUILD b/PKGBUILD
new file mode 100644
index 000000000000..23df45c31edd
--- /dev/null
+++ b/PKGBUILD
@@ -0,0 +1,21 @@
+# Maintainer: Hector <hsearaDOTatDOTgmailDOTcom>
+
+pkgname=gromacs-5.0-complete-charmm36
+pkgver=201411
+_gromacs_ver=5.0.6
+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')
+
+
+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/
+  chmod 644 ${pkgdir}/usr/local/gromacs/gromacs-${_gromacs_ver}/share/gromacs/top/charmm36.ff/*
+}