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pkgname=openmm
pkgver=7.2.1
pkgrel=1
pkgdesc="Toolkit for molecular simulation using high performance GPU code"
arch=('i686' 'x86_64')
url="http://openmm.org/"
license=('MIT' 'LGPL')
depends=('fftw')
makedepends=('cmake' 'swig' 'doxygen')
source=("https://github.com/pandegroup/openmm/archive/${pkgver}.tar.gz")
sha1sums=('ab7f0a136152c04cb7f38d10321d35fa212fdbc0')
#prepare() {
# cd "${srcdir}"/openmm-${pkgver}
# patch -p1 -i "${srcdir}"/01ae387d649c959812bb3d3bc451e54746b2ab59.patch
# sed -i "s|sys.argv\[0\]|os.path.basename(sys.argv\[0\])|g" wrappers/python/src/swig_doxygen/swigInputBuilder.py
#}
build() {
cd "${srcdir}"
mkdir -p build
cd build
cmake \
-DCMAKE_BUILD_TYPE=Release \
-DCMAKE_INSTALL_PREFIX=/usr \
-DOPENMM_GENERATE_API_DOCS=ON \
../openmm-${pkgver}
make
}
check () {
msg2 "Testing openmm"
cd "${srcdir}"/build
# make test
}
package() {
cd "${srcdir}"/build
msg2 "Installing openmm"
make DESTDIR="${pkgdir}" install
install -d "${pkgdir}"/usr/share/licenses/${pkgname}
msg2 "Installing openmm python bindings"
# Fix to install python wrapper
#sed -i 's:setup.py install:setup.py install --root=$DESTDIR:g' wrappers/python/pysetupinstall.cmake
make DESTDIR="${pkgdir}" PythonInstall
mv "${pkgdir}"/usr/licenses/*.txt "${pkgdir}"/usr/share/licenses/${pkgname}
rm -rf "${pkgdir}"/usr/{bin,docs,examples,licenses}
}
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