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# Contributor: Hector <hsearaDOTatDOTgmailDOTcom>
pkgname=gromacs-4.5-complete
pkgver=4.5.7
pkgrel=2
pkgdesc='A versatile package to perform molecular dynamics. Last stable release of 4.5.x version series. Single and Double precision; Sources; Doxygen documentation'
url='http://www.gromacs.org/'
license=("GPL")
arch=('i686' 'x86_64')
depends=('fftw' 'perl' 'libxml2' 'libsm' 'doxygen')
options=('!libtool')
makedepends=('cmake')
source=(ftp://ftp.gromacs.org/pub/gromacs/gromacs-$pkgver.tar.gz)
md5sums=('24febafaf51be785b1c755ef679bea08')
sha1sums=('f2fb59bcfb45043d8dd72122629fc23d7e2b800f')
build() {
mkdir -p ${srcdir}/{single,double}
msg2 "Building the single precision files"
cd ${srcdir}/single
cmake ../gromacs-$pkgver \
-DCMAKE_PREFIX=/usr/local/gromacs/gromacs-$pkgver \
-DCMAKE_INSTALL_PREFIX=/usr/local/gromacs/gromacs-$pkgver \
-DGMX_SHARED_LIBS=ON
make
msg2 "Building the doulbe precision files"
cd ${srcdir}/double
cmake ../gromacs-$pkgver \
-DCMAKE_PREFIX=/usr/local/gromacs/gromacs-$pkgver \
-DCMAKE_INSTALL_PREFIX=/usr/local/gromacs/gromacs-$pkgver \
-DGMX_SHARED_LIBS=ON \
-DGMX_DOUBLE=ON
make
msg2 "Building doxygen documentation"
cd ../gromacs-$pkgver
./configure
doxygen
}
package() {
msg2 "Making the single precision executables"
cd ${srcdir}/single
make DESTDIR=${pkgdir} install
msg2 "Making the double precision executables"
cd ${srcdir}/double
make DESTDIR=${pkgdir} install
msg2 "Installing doxygen documentation"
cd ${srcdir}/gromacs-$pkgver
cp -r doxygen-doc $pkgdir/usr/local/gromacs/gromacs-$pkgver
msg2 "Installing Sources"
cd ${srcdir}/gromacs-$pkgver
cp -r src $pkgdir/usr/local/gromacs/gromacs-$pkgver
chown -R 644 $pkgdir/usr/local/gromacs/gromacs-$pkgver/src
}
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