Initial import

2 files changed, 54 insertions, 0 deletions

diff --git a/.SRCINFO b/.SRCINFO
new file mode 100644
index 000000000000..73e3afd467ea
--- /dev/null
+++ b/.SRCINFO
@@ -0,0 +1,22 @@
+pkgbase = rdkit
+	pkgdesc = RDKit - A collection of cheminformatics and machine-learning software written in C++ and Python.
+	pkgver = 2015_03_1
+	pkgrel = 1
+	url = http://rdkit.org/
+	arch = i686
+	arch = x86_64
+	license = New BSD License
+	depends = bison
+	depends = boost
+	depends = boost-libs
+	depends = cmake
+	depends = flex
+	depends = python2
+	depends = python2-numpy
+	depends = sqlite3
+	provides = rdkit
+	source = https://github.com/rdkit/rdkit/archive/Release_2015_03_1.tar.gz
+	md5sums = a6e5e90eb3ccafde2715b2c89bf1019b
+
+pkgname = rdkit
+
diff --git a/PKGBUILD b/PKGBUILD
new file mode 100644
index 000000000000..d0db7243e0cf
--- /dev/null
+++ b/PKGBUILD
@@ -0,0 +1,32 @@
+# Maintainer: Samo Turk <samo.turk@gmail.com> 
+pkgname=rdkit
+_pkgname=RDKit
+pkgver=2015_03_1
+pkgrel=1
+pkgdesc="RDKit - A collection of cheminformatics and machine-learning software written in C++ and Python."
+arch=("i686" "x86_64")
+url="http://rdkit.org/"
+license=('New BSD License')
+depends=( 'bison' 'boost' 'boost-libs' 'cmake' 'flex' 'python2' 'python2-numpy' 'sqlite3' )
+source=(https://github.com/rdkit/rdkit/archive/Release_${pkgver}.tar.gz )
+md5sums=('a6e5e90eb3ccafde2715b2c89bf1019b')
+provides=('rdkit')
+
+build() {
+  cd ${srcdir}
+  mkdir build
+  cd build
+  cmake ../${pkgname}-Release_${pkgver} \
+    -DCMAKE_BUILD_TYPE=Release \
+    -DRDK_INSTALL_INTREE=0 \
+    -DCMAKE_INSTALL_PREFIX=/usr \
+    -DPYTHON_LIBRARY=/usr/lib/python2.7/config/libpython2.7.so \
+    -DPYTHON_INCLUDE_DIR=/usr/include/python2.7/ \
+    -DPYTHON_EXECUTABLE=/usr/bin/python2
+  make
+}
+
+package() {
+  cd ${srcdir}/build
+  make DESTDIR=${pkgdir} install 
+}