Initial commit

2 files changed, 62 insertions, 0 deletions

diff --git a/.SRCINFO b/.SRCINFO
new file mode 100644
index 000000000000..e26075108fe4
--- /dev/null
+++ b/.SRCINFO
@@ -0,0 +1,21 @@
+pkgbase = rdkit-git
+	pkgdesc = RDKit - A collection of cheminformatics and machine-learning software written in C++ and Python.
+	pkgver = 20150928
+	pkgrel = 1
+	url = http://rdkit.org/
+	arch = i686
+	arch = x86_64
+	license = New BSD License
+	makedepends = git
+	depends = bison
+	depends = boost
+	depends = boost-libs
+	depends = cmake
+	depends = flex
+	depends = python
+	depends = sqlite3
+	depends = python-numpy
+	provides = rdkit
+
+pkgname = rdkit-git
+
diff --git a/PKGBUILD b/PKGBUILD
new file mode 100644
index 000000000000..79bbb35ee3a1
--- /dev/null
+++ b/PKGBUILD
@@ -0,0 +1,41 @@
+# Maintainer: Samo Turk <samo.turk@gmail.com> 
+pkgname=rdkit-git
+_pkgname=RDKit
+gitname=rdkit
+pkgver=20150928
+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' 'python' 'sqlite3' 'python-numpy')
+makedepends=('git')
+source=()
+md5sums=()
+provides=('rdkit')
+_gitroot="https://github.com/rdkit/rdkit.git" 
+_gitname="rdkit"
+_gitbranch="master"
+
+build() {
+  cd ${srcdir}
+  mkdir build
+  cd build
+  git clone $_gitroot
+  cmake ../build/${gitname} \
+    -DCMAKE_BUILD_TYPE=Release \
+    -DRDK_INSTALL_INTREE=0 \
+    -DRDK_BUILD_THREADSAFE_SSS=ON \
+    -DCMAKE_INSTALL_PREFIX=/usr \
+    -DPYTHON_LIBRARY=/usr/lib/python3.4/config-3.4m/libpython3.4m.so \
+    -DPYTHON_INCLUDE_DIR=/usr/include/python3.4m/ \
+    -DPYTHON_EXECUTABLE=/usr/bin/python
+  make
+}
+
+
+package() {
+  echo "Making package.."
+  cd ${srcdir}/build
+  make DESTDIR=${pkgdir} install 
+}