view tool_dependencies.xml @ 2:732b0fe57a38

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<tool_dependency>
    <package name="numpy" version="1.7.1">
	<repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_numpy_1_7" owner="bgruening" changeset_revision="c3041382815c" prior_installation_required="True" />
    </package>
    <package name="boost" version="1.53.0">
	<repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_boost_1_53" owner="bgruening" changeset_revision="97a7d116834b" prior_installation_required="True" />
    </package>

    <package name="rdkit" version="2012_12_1">
        <install version="1.0">
            <actions>
                <action type="set_environmnet_for_install">
                    <package name="numpy" version="1.7.1">
                        <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_numpy_1_7" owner="bgruening" changeset_revision="c3041382815c" />
                    </package>
                </action>
                <action type="set_environmnet_for_install">
                    <package name="boost" version="1.53.0">
                        <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_boost_1_53" owner="bgruening" changeset_revision="97a7d116834b" />
                    </package>
                </action>

                <action type="download_by_url">http://downloads.sourceforge.net/project/rdkit/rdkit/Q4_2012/RDKit_2012_12_1.tgz</action>
                <action type="shell_command">export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:`pwd`/lib/ &amp;&amp;
                    export PYTHONPATH=$PYTHONPATH:`pwd`/ &amp;&amp;
                    mkdir build &amp;&amp;
                    cd build &amp;&amp;
                    cmake .. -DBOOST_ROOT=$BOOST_ROOT_DIR -DCMAKE_INSTALL_PREFIX=$INSTALL_DIR/rdkit/ -DRDK_INSTALL_INTREE=OFF</action>
                <action type="shell_command">cd ./build &amp;&amp; make </action>
                <action type="shell_command">cd ./build &amp;&amp; make install</action>

                <action type="set_environment">
                    <environment_variable name="PATH" action="prepend_to">$INSTALL_DIR/rdkit/bin</environment_variable>
                    <environment_variable name="PYTHONPATH" action="prepend_to">$INSTALL_DIR/rdkit/lib/</environment_variable>
                    <environment_variable name="LD_LIBRARY_PATH" action="prepend_to">$INSTALL_DIR/boost/lib/</environment_variable>
                </action>
            </actions>
        </install>
        <readme>Compiling rdkit requires cmake, python headers, sqlite3, flex and bison.</readme>
    </package>
</tool_dependency>