Mercurial > repos > iuc > package_rdkit_2013_03
view tool_dependencies.xml @ 0:98b2f159a259 draft
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author | bgruening |
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date | Thu, 15 Aug 2013 03:11:17 -0400 |
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children | e949a14df33a |
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<?xml version="1.0"?> <tool_dependency> <package name="numpy" version="1.7.1"> <repository changeset_revision="74c21f9bdc39" name="package_numpy_1_7" owner="iuc" prior_installation_required="True" toolshed="http://toolshed.g2.bx.psu.edu" /> </package> <package name="boost" version="1.53.0"> <repository changeset_revision="dbdde1a2d0c5" name="package_boost_1_53" owner="iuc" prior_installation_required="True" toolshed="http://toolshed.g2.bx.psu.edu" /> </package> <package name="rdkit" version="2013_03_2"> <install version="1.0"> <actions> <!-- first action is always downloading --> <action type="download_by_url">http://rdkit.googlecode.com/files/RDKit_2013_03_2.tgz</action> <!-- populate the environment variables from the dependend repos --> <action type="set_environment_for_install"> <repository changeset_revision="74c21f9bdc39" name="package_numpy_1_7" owner="iuc" toolshed="http://toolshed.g2.bx.psu.edu"> <package name="numpy" version="1.7.1" /> </repository> <repository changeset_revision="dbdde1a2d0c5" name="package_boost_1_53" owner="iuc" toolshed="http://toolshed.g2.bx.psu.edu"> <package name="boost" version="1.53.0" /> </repository> </action> <!-- PYTHONPATH_NUMPY is set in the numpy package --> <action type="shell_command">export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:`pwd`/lib/ && export PYTHONPATH=$PYTHONPATH:`pwd`/ && mkdir build && cd build && cmake .. -DBOOST_ROOT=$BOOST_ROOT_DIR -DCMAKE_INSTALL_PREFIX=$INSTALL_DIR/rdkit/ -DRDK_INSTALL_INTREE=OFF -DPYTHON_NUMPY_INCLUDE_PATH=$PYTHONPATH_NUMPY/numpy/core/include/</action> <action type="shell_command">cd ./build && make </action> <action type="shell_command">cd ./build && make install</action> <action type="set_environment"> <environment_variable action="set_to" name="RDBASE">$INSTALL_DIR/rdkit</environment_variable> <environment_variable action="append_to" name="LD_LIBRARY_PATH">$INSTALL_DIR/rdkit/lib/</environment_variable> <environment_variable action="prepend_to" name="PATH">$INSTALL_DIR/rdkit/bin</environment_variable> <environment_variable action="prepend_to" name="PYTHONPATH">$INSTALL_DIR/rdkit/lib/python2.7/site-packages/</environment_variable> <environment_variable action="prepend_to" name="PYTHONPATH">$ENV[PYTHONPATH_NUMPY]</environment_variable> <environment_variable action="append_to" name="LD_LIBRARY_PATH">$ENV[BOOST_ROOT_DIR]/lib/</environment_variable> </action> </actions> </install> <readme>Compiling rdkit requires cmake, python headers, sqlite3, flex and bison.</readme> </package> </tool_dependency>