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# Maintainer: Alexander Minges <alexander.minges@gmail.com>
# Contributor: Samo Turk <samo.turk@gmail.com>
pkgname=rdkit-python2
_pkgname=RDKit
pkgver=2018_03_1
pkgrel=2
pkgdesc="RDKit - A collection of cheminformatics and machine-learning software written in C++ and Python."
arch=("i686" "x86_64" "armv7h")
url="http://rdkit.org/"
license=('New BSD License')
depends=( 'bison' 'boost' 'boost-libs' 'cmake' 'flex' 'python2' 'python2-numpy' 'sqlite3' 'python2-cairocffi' 'python2-pillow')
source=("https://github.com/rdkit/rdkit/archive/Release_${pkgver}.tar.gz" "http://www.inchi-trust.org/download/105/INCHI-1-SRC.zip")
sha256sums=('9edac0f57c963947b59dfe6f5a84cf3bd2d93ca7111d4d3cf883c9c61756905d'
'4ac311ca3a16fa75d695ec4fc711e74045c6d6c882dea0dd1055961fba643720')
provides=('rdkit')
conflicts=('rdkit','rdkit-git')
build() {
cd ${srcdir}
mkdir build
mkdir -p rdkit-Release_${pkgver}/External/INCHI-API/src
cp -a INCHI-1-SRC/* rdkit-Release_${pkgver}/External/INCHI-API/src
cd build
cmake ../rdkit-Release_${pkgver} \
-DCMAKE_BUILD_TYPE=Release \
-DRDK_INSTALL_INTREE=0 \
-DCMAKE_INSTALL_PREFIX=/usr \
-DPYTHON_LIBRARY=/usr/lib/libpython2.7.so \
-DPYTHON_INCLUDE_DIR=/usr/include/python2.7/ \
-DPYTHON_EXECUTABLE=/usr/bin/python2 \
-DRDK_BUILD_INCHI_SUPPORT=ON
make
}
package() {
cd ${srcdir}/build
make DESTDIR=${pkgdir} install
}
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