diff options
| author | samoturk | 2016-01-07 13:54:16 +0100 |
|---|---|---|
| committer | samoturk | 2016-01-07 13:54:16 +0100 |
| commit | fccd05cdd95ada4354b8b65a11257fc19cf9c76b (patch) | |
| tree | 1dc987e64c5d55ee4f3280b253481d228e29c18a | |
| parent | 1994df17a04fd39c8c45060900860bcecd2480de (diff) | |
| download | aur-fccd05cdd95ada4354b8b65a11257fc19cf9c76b.tar.gz | |
INCHI support
| -rw-r--r-- | .SRCINFO | 5 | ||||
| -rw-r--r-- | PKGBUILD | 10 |
2 files changed, 9 insertions, 6 deletions
@@ -1,7 +1,7 @@ pkgbase = rdkit pkgdesc = RDKit - A collection of cheminformatics and machine-learning software written in C++ and Python. pkgver = 2015_09_2 - pkgrel = 1 + pkgrel = 2 url = http://rdkit.org/ arch = i686 arch = x86_64 @@ -15,8 +15,9 @@ pkgbase = rdkit depends = python2-numpy depends = sqlite3 provides = rdkit - source = https://github.com/rdkit/rdkit/archive/Release_2015_03_1.tar.gz + source = https://github.com/rdkit/rdkit/archive/Release_2015_09_2.tar.gz md5sums = 889fc8bda9d59ce3b72bf6252c630287 + md5sums = 8447bf108af12fe66eecba41bbc89918 pkgname = rdkit @@ -2,19 +2,20 @@ pkgname=rdkit _pkgname=RDKit pkgver=2015_09_2 -pkgrel=1 +pkgrel=2 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_${pkgver}.tar.gz ) -md5sums=('889fc8bda9d59ce3b72bf6252c630287') +source=("https://github.com/rdkit/rdkit/archive/Release_${pkgver}.tar.gz" "http://www.inchi-trust.org/download/104/INCHI-1-API.zip") +md5sums=('889fc8bda9d59ce3b72bf6252c630287' '8447bf108af12fe66eecba41bbc89918') provides=('rdkit') build() { cd ${srcdir} mkdir build + cp INCHI-1-API/INCHI_API/inchi_dll/* ${pkgname}-Release_${pkgver}/External/INCHI-API/ cd build cmake ../${pkgname}-Release_${pkgver} \ -DCMAKE_BUILD_TYPE=Release \ @@ -22,7 +23,8 @@ build() { -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 + -DPYTHON_EXECUTABLE=/usr/bin/python2 \ + -DRDK_BUILD_INCHI_SUPPORT=ON make } |