diff options
| author | Alexander Minges | 2017-06-15 22:29:10 +0200 |
|---|---|---|
| committer | Alexander Minges | 2017-06-15 22:29:10 +0200 |
| commit | f872d099f1fa7109f621278109cb323b7a2e9fde (patch) | |
| tree | b6174426bc269af219328d14b1a217c7174cd7fd | |
| download | aur-f872d099f1fa7109f621278109cb323b7a2e9fde.tar.gz | |
initial commit
| -rw-r--r-- | .SRCINFO | 30 | ||||
| -rw-r--r-- | PKGBUILD | 37 |
2 files changed, 67 insertions, 0 deletions
diff --git a/.SRCINFO b/.SRCINFO new file mode 100644 index 000000000000..3f5ad5c6c234 --- /dev/null +++ b/.SRCINFO @@ -0,0 +1,30 @@ +# Generated by mksrcinfo v8 +# Thu Jun 15 20:29:00 UTC 2017 +pkgbase = rdkit-python2 + pkgdesc = RDKit - A collection of cheminformatics and machine-learning software written in C++ and Python. + pkgver = 2017_03_2 + pkgrel = 1 + url = http://rdkit.org/ + arch = i686 + arch = x86_64 + arch = armv7h + license = New BSD License + depends = bison + depends = boost + depends = boost-libs + depends = cmake + depends = flex + depends = python2 + depends = python2-numpy + depends = sqlite3 + depends = python2-cairocffi + depends = python2-pillow + provides = rdkit + conflicts = rdkit,rdkit-git + source = https://github.com/rdkit/rdkit/archive/Release_2017_03_2.tar.gz + source = http://www.inchi-trust.org/download/104/INCHI-1-API.zip + md5sums = c835bbd363154afcd2801881b891c19b + md5sums = 8447bf108af12fe66eecba41bbc89918 + +pkgname = rdkit-python2 + diff --git a/PKGBUILD b/PKGBUILD new file mode 100644 index 000000000000..641a295b7ba4 --- /dev/null +++ b/PKGBUILD @@ -0,0 +1,37 @@ +# Maintainer: Alexander Minges <alexander.minges@gmail.com> +# Contributor: Samo Turk <samo.turk@gmail.com> +pkgname=rdkit-python2 +_pkgname=RDKit +pkgver=2017_03_2 +pkgrel=1 +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/104/INCHI-1-API.zip") +md5sums=('c835bbd363154afcd2801881b891c19b' + '8447bf108af12fe66eecba41bbc89918') +provides=('rdkit') +conflicts=('rdkit','rdkit-git') + +build() { + cd ${srcdir} + mkdir build + cp INCHI-1-API/INCHI_API/inchi_dll/* rdkit-Release_${pkgver}/External/INCHI-API/ + cd build + cmake ../rdkit-Release_${pkgver} \ + -DCMAKE_BUILD_TYPE=Release \ + -DRDK_INSTALL_INTREE=0 \ + -DCMAKE_INSTALL_PREFIX=/usr \ + -DPYTHON_LIBRARY=/usr/lib/libpython3.6m.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 +} |