Mercurial > repos > bgruening > chemfp

view tool_dependencies.xml @ 20:21d29a7f13d8

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
ChemicalToolBoX update.
author Bjoern Gruening <bjoern.gruening@gmail.com>
date Fri, 31 May 2013 22:31:45 +0200
parents a03d5daa3bf9
children 7c84cfa515e0
line wrap: on
line source

<?xml version='1.0' encoding='utf-8'?>
<tool_dependency>
    <package name="rdkit" version="2012_12_1">
        <repository changeset_revision="5b30ea84ba25" name="package_rdkit_2012_12" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu/" />
    </package>
    <package name="numpy" version="1.7.1">
        <repository changeset_revision="ad6ebe2c75ef" name="package_numpy_1_7" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu/" />
    </package>
    <package name="matplotlib" version="1.2.1">
        <repository changeset_revision="44e09779f3e2" name="package_matplotlib_1_2" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu/" />
    </package>
    <package name="chemfp" version="1.1p1">
        <repository changeset_revision="3e3356b13281" name="package_chemfp_1_1" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu/" />
    </package>
    <package name="scipy" version="0.12.0">
        <repository changeset_revision="096765cc084f" name="package_scipy_0_12" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu/" />
    </package>
    <package name="openbabel" version="2.3.2">
        <repository changeset_revision="3a993ff17df5" name="package_openbabel_2_3" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu/" />
    </package>
</tool_dependency>