Mercurial > repos > bgruening > package_rdkit_2012_12
comparison tool_dependencies.xml @ 3:462464e73ad9
Uploaded
| author | bgruening |
|---|---|
| date | Thu, 25 Apr 2013 11:14:52 -0400 |
| parents | 732b0fe57a38 |
| children | 0adc830e7d71 |
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| 2:732b0fe57a38 | 3:462464e73ad9 |
|---|---|
| 1 <tool_dependency> | 1 <tool_dependency> |
| 2 <package name="numpy" version="1.7.1"> | 2 <package name="numpy" version="1.7.1"> |
| 3 <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_numpy_1_7" owner="bgruening" changeset_revision="c3041382815c" prior_installation_required="True" /> | 3 <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_numpy_1_7" owner="bgruening" changeset_revision="c3041382815c" prior_installation_required="True" /> |
| 4 </package> | 4 </package> |
| 5 <package name="boost" version="1.53.0"> | 5 <package name="boost" version="1.53.0"> |
| 6 <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_boost_1_53" owner="bgruening" changeset_revision="97a7d116834b" prior_installation_required="True" /> | 6 <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_boost_1_53" owner="bgruening" changeset_revision="95ed6d984eab" prior_installation_required="True" /> |
| 7 </package> | 7 </package> |
| 8 | 8 |
| 9 <package name="rdkit" version="2012_12_1"> | 9 <package name="rdkit" version="2012_12_1"> |
| 10 <install version="1.0"> | 10 <install version="1.0"> |
| 11 <actions> | 11 <actions> |
| 12 <action type="set_environmnet_for_install"> | 12 <!-- first action is always downloading --> |
| 13 <package name="numpy" version="1.7.1"> | 13 <action type="download_by_url">http://downloads.sourceforge.net/project/rdkit/rdkit/Q4_2012/RDKit_2012_12_1.tgz</action> |
| 14 <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_numpy_1_7" owner="bgruening" changeset_revision="c3041382815c" /> | 14 |
| 15 </package> | 15 <!-- populate the environment variables from the dependend repos --> |
| 16 <action type="set_environment_for_install"> | |
| 17 <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_numpy_1_7" owner="bgruening" changeset_revision="c3041382815c"> | |
| 18 <package name="numpy" version="1.7.1" /> | |
| 19 </repository> | |
| 16 </action> | 20 </action> |
| 17 <action type="set_environmnet_for_install"> | 21 <action type="set_environment_for_install"> |
| 18 <package name="boost" version="1.53.0"> | 22 <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_boost_1_53" owner="bgruening" changeset_revision="95ed6d984eab"> |
| 19 <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_boost_1_53" owner="bgruening" changeset_revision="97a7d116834b" /> | 23 <package name="boost" version="1.53.0" /> |
| 20 </package> | 24 </repository> |
| 21 </action> | 25 </action> |
| 22 | 26 |
| 23 <action type="download_by_url">http://downloads.sourceforge.net/project/rdkit/rdkit/Q4_2012/RDKit_2012_12_1.tgz</action> | |
| 24 <action type="shell_command">export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:`pwd`/lib/ && | 27 <action type="shell_command">export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:`pwd`/lib/ && |
| 25 export PYTHONPATH=$PYTHONPATH:`pwd`/ && | 28 export PYTHONPATH=$PYTHONPATH:`pwd`/ && |
| 26 mkdir build && | 29 mkdir build && |
| 27 cd build && | 30 cd build && |
| 28 cmake .. -DBOOST_ROOT=$BOOST_ROOT_DIR -DCMAKE_INSTALL_PREFIX=$INSTALL_DIR/rdkit/ -DRDK_INSTALL_INTREE=OFF</action> | 31 cmake .. -DBOOST_ROOT=$BOOST_ROOT_DIR -DCMAKE_INSTALL_PREFIX=$INSTALL_DIR/rdkit/ -DRDK_INSTALL_INTREE=OFF</action> |
| 30 <action type="shell_command">cd ./build && make install</action> | 33 <action type="shell_command">cd ./build && make install</action> |
| 31 | 34 |
| 32 <action type="set_environment"> | 35 <action type="set_environment"> |
| 33 <environment_variable name="PATH" action="prepend_to">$INSTALL_DIR/rdkit/bin</environment_variable> | 36 <environment_variable name="PATH" action="prepend_to">$INSTALL_DIR/rdkit/bin</environment_variable> |
| 34 <environment_variable name="PYTHONPATH" action="prepend_to">$INSTALL_DIR/rdkit/lib/</environment_variable> | 37 <environment_variable name="PYTHONPATH" action="prepend_to">$INSTALL_DIR/rdkit/lib/</environment_variable> |
| 35 <environment_variable name="LD_LIBRARY_PATH" action="prepend_to">$INSTALL_DIR/boost/lib/</environment_variable> | |
| 36 </action> | 38 </action> |
| 37 </actions> | 39 </actions> |
| 38 </install> | 40 </install> |
| 39 <readme>Compiling rdkit requires cmake, python headers, sqlite3, flex and bison.</readme> | 41 <readme>Compiling rdkit requires cmake, python headers, sqlite3, flex and bison.</readme> |
| 40 </package> | 42 </package> |