Package: rdkit
Version: 2013.09.2
Epoch: 1
Revision: 102
Distribution: 10.6, 10.7, 10.8, 10.9
GCC: 4.0
UseMaxBuildJobs: true
BuildDependsOnly: false
Source: mirror:sourceforge:rdkit/RDKit_2013_09_2.tgz
Source-MD5: a270d1815dbefa7fcda30023b9433f2f
PatchFile: rdkit.patch
PatchFile-MD5: 4a35279074c6a91860c72e48e688ee4e
Description: Cheminformatics and machine-learning software 
DescDetail: <<
A collection of cheminformatics and machine-learning software written in C++ 
and Python. Core algorithms and data structures are written in C++. Wrappers
are provided to use the toolkit from either Python or Java. Additionally, the
RDKit distribution includes a PostgreSQL-based cartridge that allows molecules 
to be stored in a relational database and retrieved via substructure and 
similarity searches.
<<
BuildConflicts:  <<
 bison-legacy,
 bison,
 flex
<<
Depends: <<
 %N-shlibs (= %e:%v-%r), 
 boost1.53.nopython-shlibs,
 boost1.53.python27-shlibs,
 python27-shlibs, 
 numpy-py27, 
 sqlite3-shlibs, 
 pil-py27
<<
BuildDepends:  <<
 boost1.53.python27,
 python27, 
 numpy-py27, 
 sqlite3-dev, 
 cmake
<<
CompileScript: <<
#!/bin/sh -efv
mkdir build
cd build 
BOOSTROOT=%p CC=/usr/bin/gcc CXX=/usr/bin/g++  cmake -DFLEX_EXECUTABLE:FILEPATH=/usr/bin/flex -DCMAKE_OSX_SYSROOT:PATH="/" -DCMAKE_OSX_DEPLOYMENT_TARGET:STRING="" -DCMAKE_INSTALL_PREFIX=%p -DCMAKE_INSTALL_NAME_DIR=%p/lib/%n   -DCMAKE_PREFIX_PATH=%p  -DBOOST_LIBRARYDIR=""$BOOSTROOT"/lib" -DBOOST_ROOT="$BOOSTROOT"  -DBoost_NO_SYSTEM_PATHS=ON -DPYTHON_LIBRARY=%p/lib/python2.7/config/libpython2.7.dylib  -DPYTHON_INCLUDE_DIR=%p/include/python2.7 -DPYTHON_EXECUTABLE=%p/bin/python2.7 ..  
make install
<<
InstallScript: <<
#!/bin/sh -efv
mkdir -p %i/lib/python2.7/site-packages
perl -pi -e 's|import Image|from PIL import Image|g' rdkit/sping/PIL/pidPIL.py
cp -R rdkit %i/lib/python2.7/site-packages/.
mkdir -p %i/lib
cp -R lib %i/lib/%n
mkdir -p %i/include
cp -R Code %i/include/%n
cp -R Contrib/PBF  %i/include/%n/.
cp -R External/AvalonTools  %i/include/%n/.
cp -R External/INCHI-API  %i/include/%n/.
cp -R External/cmim-1.0  %i/include/%n/.
<<
SplitOff: <<
    Package: %N-shlibs
    Description: The rdkit dynamic libraries
    Files:<<  
        lib/%N/*.%v.dylib 
        lib/%N/*.1.dylib                                                                                     
    <<
    Shlibs: <<
        %p/lib/%N/libAlignment.1.dylib                        1.0.0 %n  (>= 2013.09.2-1)                           
        %p/lib/%N/libCatalogs.1.dylib                         1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libChemReactions.1.dylib                    1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libChemTransforms.1.dylib                   1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libChemicalFeatures.1.dylib                 1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libDataStructs.1.dylib                      1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libDepictor.1.dylib                         1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libDescriptors.1.dylib                      1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libDistGeomHelpers.1.dylib                  1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libDistGeometry.1.dylib                     1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libEigenSolvers.1.dylib                     1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libFileParsers.1.dylib                      1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libFingerprints.1.dylib                     1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libForceField.1.dylib                       1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libForceFieldHelpers.1.dylib                1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libFragCatalog.1.dylib                      1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libGraphMol.1.dylib                         1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libMolAlign.1.dylib                         1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libMolCatalog.1.dylib                       1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libMolChemicalFeatures.1.dylib              1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libMolTransforms.1.dylib                    1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libOptimizer.1.dylib                        1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libPartialCharges.1.dylib                   1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libRDBoost.1.dylib                          1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libRDGeneral.1.dylib                        1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libRDGeometryLib.1.dylib                    1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libShapeHelpers.1.dylib                     1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libSimDivPickers.1.dylib                    1.0.0 %n  (>= 2013.09.2-1)
 		%p/lib/%N/libSLNParse.1.dylib 						  1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libSmilesParse.1.dylib                      1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libSubgraphs.1.dylib                        1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libSubstructMatch.1.dylib                   1.0.0 %n  (>= 2013.09.2-1)
        %p/lib/%N/libhc.1.dylib                               1.0.0 %n  (>= 2013.09.2-1)
    << 
    DocFiles: license.txt README
    License: BSD
<<
SplitOff2: <<
    Package: %N-dev
    BuildDependsOnly: true
    Description: The rdkit static libraries and headers
    Files:<<
        lib/%N/*.a  
        include/%N/*
    <<
    DocFiles:  license.txt README
    License: BSD
<<
License: BSD
Maintainer: W. G. Scott <wgscott@users.sourceforge.net> 
Homepage: http://www.rdkit.org