Mercurial > repos > iuc > package_rdkit_2013_03

comparison tool_dependencies.xml @ 0:98b2f159a259 draft

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author bgruening
date Thu, 15 Aug 2013 03:11:17 -0400
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children e949a14df33a
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-1:000000000000 0:98b2f159a259
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=$LD_LIBRARY_PATH:`pwd`/lib/ &amp;&amp;
28 export PYTHONPATH=$PYTHONPATH:`pwd`/ &amp;&amp;
29 mkdir build &amp;&amp;
30 cd build &amp;&amp;
31 cmake .. -DBOOST_ROOT=$BOOST_ROOT_DIR -DCMAKE_INSTALL_PREFIX=$INSTALL_DIR/rdkit/ -DRDK_INSTALL_INTREE=OFF -DPYTHON_NUMPY_INCLUDE_PATH=$PYTHONPATH_NUMPY/numpy/core/include/</action>
32 <action type="shell_command">cd ./build &amp;&amp; make </action>
33 <action type="shell_command">cd ./build &amp;&amp; make install</action>
34
35 <action type="set_environment">
36 <environment_variable action="set_to" name="RDBASE">$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>