Mercurial > repos > iuc > package_chemfp_1_1

changeset 1:b93c068b0920 draft

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planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/packages/package_chemfp_1_1 commit e10d6e2c4435771dc6f44d940359c1a31c0d6742-dirty
author iuc
date Fri, 17 Jul 2015 10:17:07 -0400
parents f2676c09c535
children cb2b38ca9d96
files tool_dependencies.xml
diffstat 1 files changed, 3 insertions(+), 3 deletions(-) [+]
line wrap: on
line diff
--- a/tool_dependencies.xml	Thu Aug 15 03:14:20 2013 -0400
+++ b/tool_dependencies.xml	Fri Jul 17 10:17:07 2015 -0400
@@ -5,11 +5,11 @@
                 <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:$INSTALL_DIR/lib/python &amp;&amp; 
+                    export PYTHONPATH=$PYTHONPATH:$INSTALL_DIR/lib/python &amp;&amp;
                     python setup.py install --install-lib $INSTALL_DIR/lib/python --install-scripts $INSTALL_DIR/bin
                 </action>
 
-                <!-- apply one small patched file, to support the query-format target-format commandline options 
+                <!-- 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="download_file">http://share.gruenings.eu/simsearch.py</action>
                 <action type="shell_command">rm $INSTALL_DIR/lib/python/chemfp/commandline/simsearch.py</action>
@@ -26,7 +26,7 @@
             </actions>
         </install>
         <readme>
-        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 
+        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 and rdkit as underlying toolkit.
         Compiling chemfp requires gcc and a python2.5+ version.</readme>