Mercurial > repos > iuc > package_rdkit_2013_03
comparison tool_dependencies.xml @ 0:98b2f159a259 draft
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author | bgruening |
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date | Thu, 15 Aug 2013 03:11:17 -0400 |
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children | e949a14df33a |
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-1:000000000000 | 0:98b2f159a259 |
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1 <?xml version="1.0"?> | |
2 <tool_dependency> | |
3 <package name="numpy" version="1.7.1"> | |
4 <repository changeset_revision="74c21f9bdc39" name="package_numpy_1_7" owner="iuc" prior_installation_required="True" toolshed="http://toolshed.g2.bx.psu.edu" /> | |
5 </package> | |
6 <package name="boost" version="1.53.0"> | |
7 <repository changeset_revision="dbdde1a2d0c5" name="package_boost_1_53" owner="iuc" prior_installation_required="True" toolshed="http://toolshed.g2.bx.psu.edu" /> | |
8 </package> | |
9 | |
10 <package name="rdkit" version="2013_03_2"> | |
11 <install version="1.0"> | |
12 <actions> | |
13 <!-- first action is always downloading --> | |
14 <action type="download_by_url">http://rdkit.googlecode.com/files/RDKit_2013_03_2.tgz</action> | |
15 | |
16 <!-- populate the environment variables from the dependend repos --> | |
17 <action type="set_environment_for_install"> | |
18 <repository changeset_revision="74c21f9bdc39" name="package_numpy_1_7" owner="iuc" toolshed="http://toolshed.g2.bx.psu.edu"> | |
19 <package name="numpy" version="1.7.1" /> | |
20 </repository> | |
21 <repository changeset_revision="dbdde1a2d0c5" name="package_boost_1_53" owner="iuc" toolshed="http://toolshed.g2.bx.psu.edu"> | |
22 <package name="boost" version="1.53.0" /> | |
23 </repository> | |
24 </action> | |
25 | |
26 <!-- PYTHONPATH_NUMPY is set in the numpy package --> | |
27 <action type="shell_command">export LD_LIBRARY_PATH=$LD_LIBRARY_PATH:`pwd`/lib/ && | |
28 export PYTHONPATH=$PYTHONPATH:`pwd`/ && | |
29 mkdir build && | |
30 cd build && | |
31 cmake .. -DBOOST_ROOT=$BOOST_ROOT_DIR -DCMAKE_INSTALL_PREFIX=$INSTALL_DIR/rdkit/ -DRDK_INSTALL_INTREE=OFF -DPYTHON_NUMPY_INCLUDE_PATH=$PYTHONPATH_NUMPY/numpy/core/include/</action> | |
32 <action type="shell_command">cd ./build && make </action> | |
33 <action type="shell_command">cd ./build && make install</action> | |
34 | |
35 <action type="set_environment"> | |
36 <environment_variable action="set_to" name="RDBASE">$INSTALL_DIR/rdkit</environment_variable> | |
37 <environment_variable action="append_to" name="LD_LIBRARY_PATH">$INSTALL_DIR/rdkit/lib/</environment_variable> | |
38 <environment_variable action="prepend_to" name="PATH">$INSTALL_DIR/rdkit/bin</environment_variable> | |
39 <environment_variable action="prepend_to" name="PYTHONPATH">$INSTALL_DIR/rdkit/lib/python2.7/site-packages/</environment_variable> | |
40 <environment_variable action="prepend_to" name="PYTHONPATH">$ENV[PYTHONPATH_NUMPY]</environment_variable> | |
41 <environment_variable action="append_to" name="LD_LIBRARY_PATH">$ENV[BOOST_ROOT_DIR]/lib/</environment_variable> | |
42 </action> | |
43 </actions> | |
44 </install> | |
45 <readme>Compiling rdkit requires cmake, python headers, sqlite3, flex and bison.</readme> | |
46 </package> | |
47 </tool_dependency> |