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Added gromacs4

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arcan1s 2013-09-11 01:30:16 +04:00
parent 2560cb8c5b
commit 9a47d4e851
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# $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
}