Mercurial > repos > iuc > package_chemfp_1_1

comparison tool_dependencies.xml @ 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
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0:f2676c09c535 1:b93c068b0920
3 <install version="1.0"> 3 <install version="1.0">
4 <actions> 4 <actions>
5 <action type="download_by_url">http://chem-fingerprints.googlecode.com/files/chemfp-1.1p1.tar.gz</action> 5 <action type="download_by_url">http://chem-fingerprints.googlecode.com/files/chemfp-1.1p1.tar.gz</action>
6 <action type="make_directory">$INSTALL_DIR/lib/python</action> 6 <action type="make_directory">$INSTALL_DIR/lib/python</action>
7 <action type="shell_command"> 7 <action type="shell_command">
8 export PYTHONPATH=$PYTHONPATH:$INSTALL_DIR/lib/python &amp;&amp; 8 export PYTHONPATH=$PYTHONPATH:$INSTALL_DIR/lib/python &amp;&amp;
9 python setup.py install --install-lib $INSTALL_DIR/lib/python --install-scripts $INSTALL_DIR/bin 9 python setup.py install --install-lib $INSTALL_DIR/lib/python --install-scripts $INSTALL_DIR/bin
10 </action> 10 </action>
11 11
12 <!-- apply one small patched file, to support the query-format target-format commandline options 12 <!-- apply one small patched file, to support the query-format target-format commandline options
13 <action type="download_file">http://chem-fingerprints.googlecode.com/hg-history/1281bfcb470b84f5e75250dfa041345d280dde30/chemfp/commandline/simsearch.py</action>--> 13 <action type="download_file">http://chem-fingerprints.googlecode.com/hg-history/1281bfcb470b84f5e75250dfa041345d280dde30/chemfp/commandline/simsearch.py</action>-->
14 <action type="download_file">http://share.gruenings.eu/simsearch.py</action> 14 <action type="download_file">http://share.gruenings.eu/simsearch.py</action>
15 <action type="shell_command">rm $INSTALL_DIR/lib/python/chemfp/commandline/simsearch.py</action> 15 <action type="shell_command">rm $INSTALL_DIR/lib/python/chemfp/commandline/simsearch.py</action>
16 <action type="move_file"> 16 <action type="move_file">
17 <source>simsearch.py</source> 17 <source>simsearch.py</source>
24 <environment_variable name="PATH" action="prepend_to">$INSTALL_DIR/bin</environment_variable> 24 <environment_variable name="PATH" action="prepend_to">$INSTALL_DIR/bin</environment_variable>
25 </action> 25 </action>
26 </actions> 26 </actions>
27 </install> 27 </install>
28 <readme> 28 <readme>
29 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 29 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
30 from structure files. chemfp supports the free Open Babel and RDKit toolkits and the proprietary OEChem toolkit. 30 from structure files. chemfp supports the free Open Babel and RDKit toolkits and the proprietary OEChem toolkit.
31 Currently the Galaxy-wrappers are using openbabel and rdkit as underlying toolkit. 31 Currently the Galaxy-wrappers are using openbabel and rdkit as underlying toolkit.
32 Compiling chemfp requires gcc and a python2.5+ version.</readme> 32 Compiling chemfp requires gcc and a python2.5+ version.</readme>
33 </package> 33 </package>
34 </tool_dependency> 34 </tool_dependency>