Mercurial > repos > bgruening > silicos_it
changeset 24:1c218c2a4bd8 default tip
ChemicalToolBoX update.
| author | Bjoern Gruening <bjoern.gruening@gmail.com> |
|---|---|
| date | Tue, 23 Jul 2013 14:54:12 +0200 (2013-07-23) |
| parents | 405b198f6379 |
| children | |
| files | repository_dependencies.xml strip-it/strip-it.xml tool_dependencies.xml |
| diffstat | 3 files changed, 4 insertions(+), 7 deletions(-) [+] |
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--- a/repository_dependencies.xml Tue Jul 23 01:02:34 2013 +0200 +++ b/repository_dependencies.xml Tue Jul 23 14:54:12 2013 +0200 @@ -1,4 +1,4 @@ <?xml version='1.0' encoding='utf-8'?> <repositories description="This requires the Molecule datatype definitions (e.g. SMILES, InChI, SD-format)."> - <repository changeset_revision="e6493849afd3" name="molecule_datatypes" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu/" /> + <repository changeset_revision="18ff2d6e1dca" name="molecule_datatypes" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu/" /> </repositories> \ No newline at end of file
--- a/strip-it/strip-it.xml Tue Jul 23 01:02:34 2013 +0200 +++ b/strip-it/strip-it.xml Tue Jul 23 14:54:12 2013 +0200 @@ -47,9 +47,7 @@ .. class:: infomark -<<<<<<< HEAD -http://www.silicos-it.com/software/strip-it/1.0.2/strip-it.html -======= + **Input** | - `SD-Format`_ @@ -59,7 +57,7 @@ .. _SD-Format: http://en.wikipedia.org/wiki/Chemical_table_file .. _SMILES Format: http://en.wikipedia.org/wiki/Simplified_molecular_input_line_entry_specification .. _MOL2 Format: http://www.tripos.com/data/support/mol2.pdf ->>>>>>> 67ce87e8ccf30f81f72248a7fde0896c5e9ae953 + -----
--- a/tool_dependencies.xml Tue Jul 23 01:02:34 2013 +0200 +++ b/tool_dependencies.xml Tue Jul 23 14:54:12 2013 +0200 @@ -12,7 +12,7 @@ <package name="silicos_it" version="1.0.1"> <install version="1.0"> <actions> - <action type="download_by_url">https://github.com/bgruening/silicos-it_store/blob/master/strip-it/strip-it-1.0.2.tar.gz</action> + <action type="download_by_url">https://github.com/bgruening/silicos-it_store/raw/master/strip-it/strip-it-1.0.2.tar.gz</action> <!-- populate the environment variables from the dependend repos $OPENBABEL_INCLUDE_DIR and $OPENBABEL_LIB_DIR @@ -25,7 +25,6 @@ <!--compiling strip-it --> <action type="shell_command"> - cd strip-it-1.0.2 && cmake . -DOPENBABEL2_INCLUDE_DIRS=$OPENBABEL_INCLUDE_DIR/openbabel-2.0/ -DCMAKE_INSTALL_PREFIX=$INSTALL_DIR/strip-it/ -DOPENBABEL2_LIBRARIES=$OPENBABEL_LIB_DIR/libopenbabel.so && make && make install</action>