| Next changeset 1:2ab9cdc5cd14 (2013-08-21) |
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Commit message:
Uploaded |
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added:
tool_dependencies.xml |
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| diff -r 000000000000 -r 7c60f011c70c tool_dependencies.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/tool_dependencies.xml Thu Aug 15 03:10:34 2013 -0400 |
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| @@ -0,0 +1,47 @@ +<?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="2012_12_1"> + <install version="1.0"> + <actions> + <!-- first action is always downloading --> + <action type="download_by_url">http://downloads.sourceforge.net/project/rdkit/rdkit/Q4_2012/RDKit_2012_12_1.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> |