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Diffstat (limited to 'PKGBUILD')
| -rw-r--r-- | PKGBUILD | 69 |
1 files changed, 69 insertions, 0 deletions
diff --git a/PKGBUILD b/PKGBUILD new file mode 100644 index 000000000000..adee4d823755 --- /dev/null +++ b/PKGBUILD @@ -0,0 +1,69 @@ +# $Id: PKGBUILD 57440 2011-10-27 20:16:15Z lcarlier $ +# Maintainer: Hector <hsearaDOTatDOTgmailDOTcom> + +pkgname=gromacs-5.0-complete +pkgver=5.0.6 +pkgrel=1 +pkgdesc='A versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles.' +url='http://www.gromacs.org/' +license=("LGPL") +arch=('i686' 'x86_64') +depends=('fftw' 'lesstif' 'perl' 'libxml2' 'libsm' 'libx11') +makedepends=('cmake') +options=('!libtool') +source=(ftp://ftp.gromacs.org/pub/gromacs/gromacs-${pkgver}.tar.gz) +sha1sums=('b4b30e1ba56805856130e99568eabcf614a2b2cd') + +build() { + mkdir -p ${srcdir}/{single,double} + + ###### CMAKE OPTIONS DISABLE BY DEFAULT ########### + # If you are using a haswell CPU, you will have # + # problems compiling with AVX2 support unless you # + # modify march=native in the /etc/makepkg.conf: # + # https://wiki.archlinux.org/index.php/Makepkg#Architecture.2C_compile_flagsAdd # + ################################################### + msg2 "Building the double precision files" + cd ${srcdir}/double + cmake ../gromacs-${pkgver}/ \ + -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs/gromacs-5.0.6/ \ + -DBUILD_SHARED_LIBS=ON \ + -DGMX_X11=ON \ + -DCMAKE_INSTALL_LIBDIR=lib \ + -DGMX_DOUBLE=ON \ + -DREGRESSIONTEST_DOWNLOAD=ON \ + -DGMX_LIBS_SUFFIX=_d + make + + msg2 "Building the single precision files" + cd ${srcdir}/single + cmake ../gromacs-${pkgver}/ \ + -DCMAKE_INSTALL_PREFIX=/usr/local/gromacs/gromacs-5.0.6/ \ + -DBUILD_SHARED_LIBS=ON \ + -DGMX_X11=ON \ + -DREGRESSIONTEST_DOWNLOAD=ON \ + -DCMAKE_INSTALL_LIBDIR=lib + make +} + +check () { + msg2 "Testing double precision compilation" + cd ${srcdir}/double + make check + msg2 "Testing single precision compilation" + cd ${srcdir}/single + make check +} + +package() { + + msg2 "Making the single precision executables" + cd ${srcdir}/single + make DESTDIR=${pkgdir} install + + # Cleaning up, kept the csh completion at default location + msg2 "Making the double precision executables" + cd ${srcdir}/double + make DESTDIR=${pkgdir} install + +} |