From 9a47d4e8510fc43ca5a3e247840d089e7ab5227b Mon Sep 17 00:00:00 2001
From: arcan1s <esalexeev@gmail.com>
Date: Wed, 11 Sep 2013 01:30:16 +0400
Subject: [PATCH] Added gromacs4

---
 gromacs4/PKGBUILD | 48 +++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 48 insertions(+)
 create mode 100644 gromacs4/PKGBUILD

diff --git a/gromacs4/PKGBUILD b/gromacs4/PKGBUILD
new file mode 100644
index 0000000..9810063
--- /dev/null
+++ b/gromacs4/PKGBUILD
@@ -0,0 +1,48 @@
+# $Id: PKGBUILD 57440 2011-10-27 20:16:15Z lcarlier $
+# Maintainer: Eduardo Martins Lopes "duca" <edumlopes@gmail.com>
+# Maintainer: Abhishek Dasgupta <abhidg@gmail.com>
+# Contributor: Ricardo <rikardo.horo@gmail.com>
+# Contributor: Hector <hsearaDOTatDOTgmailDOTcom>
+
+pkgname=gromacs4
+_pkgname=gromacs
+pkgver=4.5.5
+pkgrel=1
+pkgdesc='A versatile package to perform molecular dynamics. Old version'
+url='http://www.gromacs.org/'
+license=("GPL")
+arch=('i686' 'x86_64')
+depends=('fftw' 'lesstif' 'perl' 'libxml2' 'libsm' 'libx11')
+makedepends=('cmake')
+options=('!libtool')
+source=(ftp://ftp.gromacs.org/pub/gromacs/${_pkgname}-${pkgver}.tar.gz)
+md5sums=('6a87e7cdfb25d81afa9fea073eb28468')
+
+build() {
+  mkdir -p ${srcdir}/double
+  mkdir -p ${pkgdir}/etc/profile.d/
+  mkdir -p ${pkgdir}/usr/share/bash-completion/completions
+  msg2 "Building the doulbe precision files"
+  cd ${srcdir}/double	
+  cmake -DCMAKE_PREFIX=/opt/gromacs_old/ -DCMAKE_INSTALL_PREFIX=/opt/gromacs_old/ -DGMX_THREADS=ON -DGMX_SHARED_LIBS=ON -DGMX_DOUBLE=ON -DGMX_X11=ON -DGMX_DEFAULT_SUFFIX=OFF -DGMX_LIBS_SUFFIX=_4.5 -DGMX_BINARY_SUFFIX=_4.5 ../${_pkgname}-${pkgver}/
+  make -j3
+}
+
+package() {
+  # Cleaning up, kept the csh completion at default location
+  msg2 "Making the double precision executables"
+  cd ${srcdir}/double
+  make DESTDIR=${pkgdir} install
+
+  # installing completions in correct location and environment setup script
+  install -D -m755 ${srcdir}/${_pkgname}-${pkgver}/scripts/completion.bash "${pkgdir}/usr/share/bash-completion/completions/gromacs_old"
+  mv ${pkgdir}/opt/gromacs_old/bin/GMXRC.bash ${pkgdir}/etc/profile.d/GMXRC_OLD.bash
+  mv ${pkgdir}/opt/gromacs_old/bin/GMXRC.zsh ${pkgdir}/etc/profile.d/GMXRC_OLD.zsh
+  mv ${pkgdir}/opt/gromacs_old/bin/GMXRC.csh ${pkgdir}/etc/profile.d/GMXRC_OLD.csh
+  sed "s:/opt/gromacs_old/bin:/etc/profile.d:g" ${pkgdir}/opt/gromacs_old/bin/GMXRC > ${pkgdir}/etc/profile.d/GMXRC
+  sed -e 's/GMXRC/GMXRC_OLD/g' ${pkgdir}/etc/profile.d/GMXRC > ${pkgdir}/etc/profile.d/GMXRC_OLD
+  chmod 755 ${pkgdir}/etc/profile.d/GMXRC_OLD
+  rm -f ${pkgdir}/etc/profile.d/GMXRC
+  rm -f ${pkgdir}/opt/gromacs_old/bin/completion.*
+  rm -f ${pkgdir}/opt/gromacs_old/bin/GMXRC
+}