Mercurial > repos > bgruening > package_chemfp_1_1

changeset 1:3e3356b13281

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ChemicalToolBoX update.
author Bjoern Gruening <bjoern.gruening@gmail.com>
date Mon, 27 May 2013 16:52:37 +0200 (2013-05-27)
parents 00e31088ff16
children 616ee8e4abf4
files tool_dependencies.xml
diffstat 1 files changed, 10 insertions(+), 0 deletions(-) [+]
line wrap: on
line diff
--- a/tool_dependencies.xml	Sat May 11 17:25:40 2013 -0400
+++ b/tool_dependencies.xml	Mon May 27 16:52:37 2013 +0200
@@ -5,6 +5,16 @@
                 <action type="download_by_url">http://chem-fingerprints.googlecode.com/files/chemfp-1.1p1.tar.gz</action>
                 <action type="make_directory">$INSTALL_DIR/lib/python</action>
                 <action type="shell_command">export PYTHONPATH=$PYTHONPATH:$INSTALL_DIR/lib/python &amp;&amp; python setup.py install --home $INSTALL_DIR --install-scripts $INSTALL_DIR/bin</action>
+
+                <!-- apply one small patched file, to support the query-format target-format commandline options -->
+                <action type="download_file">http://chem-fingerprints.googlecode.com/hg-history/1281bfcb470b84f5e75250dfa041345d280dde30/chemfp/commandline/simsearch.py</action>
+                <action type="shell_command">rm $INSTALL_DIR/lib/python/chemfp/commandline/simsearch.py</action>
+                <action type="move_file">
+                    <source>simsearch.py</source>
+                    <destination>$INSTALL_DIR/lib/python/chemfp/commandline/</destination>
+                </action>
+                <!-- end patching -->
+
                 <action type="set_environment">
                     <environment_variable name="PYTHONPATH" action="append_to">$INSTALL_DIR/lib/python</environment_variable>
                     <environment_variable name="PATH" action="prepend_to">$INSTALL_DIR/bin</environment_variable>