| Previous changeset 0:f2676c09c535 (2013-08-15) Next changeset 2:cb2b38ca9d96 (2015-11-01) |
|
Commit message:
planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/packages/package_chemfp_1_1 commit e10d6e2c4435771dc6f44d940359c1a31c0d6742-dirty |
|
modified:
tool_dependencies.xml |
| b |
| diff -r f2676c09c535 -r b93c068b0920 tool_dependencies.xml --- a/tool_dependencies.xml Thu Aug 15 03:14:20 2013 -0400 +++ b/tool_dependencies.xml Fri Jul 17 10:17:07 2015 -0400 |
| b |
| @@ -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:$INSTALL_DIR/lib/python && + export PYTHONPATH=$PYTHONPATH:$INSTALL_DIR/lib/python && 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> |