Mercurial > repos > iuc > package_rdkit_2012_12

comparison tool_dependencies.xml @ 0:d44d3159d205 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
Uploaded
author iuc
date Mon, 06 Apr 2015 15:44:42 -0400
parents
children 7236fa0517d2
comparison
equal deleted inserted replaced
-1:000000000000 0:d44d3159d205
1 <?xml version="1.0"?>
2 <tool_dependency>
3 <package name="numpy" version="1.7.1">
4 <repository changeset_revision="11099cc214d5" name="package_numpy_1_7" owner="iuc" prior_installation_required="True" toolshed="https://testtoolshed.g2.bx.psu.edu" />
5 </package>
6 <package name="boost" version="1.53.0">
7 <repository changeset_revision="36de734ed5bd" name="package_boost_1_53" owner="iuc" prior_installation_required="True" toolshed="https://testtoolshed.g2.bx.psu.edu" />
8 </package>
9
10 <package name="rdkit" version="2012_12_1">
11 <install version="1.0">
12 <actions>
13 <!-- first action is always downloading -->
14 <action type="download_by_url">http://downloads.sourceforge.net/project/rdkit/rdkit/Q4_2012/RDKit_2012_12_1.tgz</action>
15
16 <!-- populate the environment variables from the dependend repos -->
17 <action type="set_environment_for_install">
18 <repository changeset_revision="11099cc214d5" name="package_numpy_1_7" owner="iuc" toolshed="https://testtoolshed.g2.bx.psu.edu">
19 <package name="numpy" version="1.7.1" />
20 </repository>
21 <repository changeset_revision="36de734ed5bd" name="package_boost_1_53" owner="iuc" toolshed="https://testtoolshed.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 <!-- on fedora everything is installed under lib64 -->
40 <environment_variable action="prepend_to" name="PYTHONPATH">$INSTALL_DIR/rdkit/lib/python2.7/site-packages/</environment_variable>
41 <environment_variable action="prepend_to" name="PYTHONPATH">$INSTALL_DIR/rdkit/lib64/python2.7/site-packages/</environment_variable>
42 <environment_variable action="prepend_to" name="PYTHONPATH">$ENV[PYTHONPATH_NUMPY]</environment_variable>
43 <environment_variable action="append_to" name="LD_LIBRARY_PATH">$ENV[BOOST_ROOT_DIR]/lib/</environment_variable>
44 </action>
45 </actions>
46 </install>
47 <readme>Compiling rdkit requires cmake, python headers, sqlite3, flex and bison.</readme>
48 </package>
49 </tool_dependency>