diff options
| author | samoturk | 2016-01-07 14:17:33 +0100 |
|---|---|---|
| committer | samoturk | 2016-01-07 14:17:33 +0100 |
| commit | 4b0b3db6ae6d255adef44155858659fc10684cb6 (patch) | |
| tree | 4b22119a88a96efb6a69ded6fcbf1d2f84df33d5 | |
| parent | f0bc082e7bbd67ba3600cb77c9a088a5208e1fe4 (diff) | |
| download | aur-4b0b3db6ae6d255adef44155858659fc10684cb6.tar.gz | |
INCHI support
| -rw-r--r-- | .SRCINFO | 2 | ||||
| -rw-r--r-- | PKGBUILD | 9 |
2 files changed, 6 insertions, 5 deletions
@@ -1,6 +1,6 @@ pkgbase = rdkit-git-python3 pkgdesc = RDKit - A collection of cheminformatics and machine-learning software written in C++ and Python. - pkgver = 20150928 + pkgver = 20160107 pkgrel = 1 url = http://rdkit.org/ arch = i686 @@ -2,7 +2,7 @@ pkgname=rdkit-git-python3 _pkgname=RDKit gitname=rdkit -pkgver=20150928 +pkgver=20160107 pkgrel=1 pkgdesc="RDKit - A collection of cheminformatics and machine-learning software written in C++ and Python." arch=("i686" "x86_64") @@ -10,8 +10,8 @@ url="http://rdkit.org/" license=('New BSD License') depends=( 'bison' 'boost' 'boost-libs' 'cmake' 'flex' 'python' 'sqlite3' 'python-numpy') makedepends=('git') -source=() -md5sums=() +source=("http://www.inchi-trust.org/download/104/INCHI-1-API.zip") +md5sums=('8447bf108af12fe66eecba41bbc89918') provides=('rdkit') _gitroot="https://github.com/rdkit/rdkit.git" _gitname="rdkit" @@ -22,7 +22,8 @@ build() { mkdir build cd build git clone $_gitroot - cmake ../build/${gitname} \ + cp ../INCHI-1-API/INCHI_API/inchi_dll/* ${gitname}/External/INCHI-API/ + cmake ${gitname} \ -DCMAKE_BUILD_TYPE=Release \ -DRDK_INSTALL_INTREE=0 \ -DRDK_BUILD_THREADSAFE_SSS=ON \ |