comparison tool_dependencies.xml @ 6:438bc12d591b

Uploaded

5:39a856defcc2

<tool_dependency>
    <package name="chemfp" version="1.1p1">
        <install version="1.0">
            <actions>
                <action type="download_by_url">http://chem-fingerprints.googlecode.com/files/chemfp-1.1p1.tar.gz</action>
                <action type="make_directory">$INSTALL_DIR/lib/python</action>

        The core chemfp functionality does not depend on a third-party library but you will need a chemistry toolkit in order to generate new fingerprints 
        from structure files. chemfp supports the free Open Babel and RDKit toolkits and the proprietary OEChem toolkit.
        Currently the Galaxy-wrappers are using openbabel as underlying toolkit.
        Compiling chemfp requires gcc and a python2.5+ version.</readme>
    </package>
    <package name="numpy" version="1.7.0">
	<repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_numpy_1_7" owner="bgruening" changeset_revision="453bf2822ceb" />
    </package>
</tool_dependency>

6:438bc12d591b

<tool_dependency>
    <package name="rdkit" version="2012_12_1">
        <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_rdkit_2012_12" owner="bgruening" changeset_revision="0adc830e7d71" />
    </package>
    <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>
    <package name="matplotlib" version="1.2.1">
        <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_matplotlib_1_2" owner="bgruening" changeset_revision="b0c9b976b4d9" />
    </package>

    <package name="chemfp" version="1.1p1">
        <install version="1.0">
            <actions>
                <action type="download_by_url">http://chem-fingerprints.googlecode.com/files/chemfp-1.1p1.tar.gz</action>
                <action type="make_directory">$INSTALL_DIR/lib/python</action>

        The core chemfp functionality does not depend on a third-party library but you will need a chemistry toolkit in order to generate new fingerprints 
        from structure files. chemfp supports the free Open Babel and RDKit toolkits and the proprietary OEChem toolkit.
        Currently the Galaxy-wrappers are using openbabel as underlying toolkit.
        Compiling chemfp requires gcc and a python2.5+ version.</readme>
    </package>
</tool_dependency>