Mercurial > repos > bgruening > openbabel

changeset 2:efe00424f82b

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Uploaded
author bgruening
date Sun, 31 Mar 2013 13:10:35 -0400
parents e8dce9596b4c
children 282503f242cf
files repository_dependencies.xml tool_dependencies.xml
diffstat 2 files changed, 17 insertions(+), 2 deletions(-) [+]
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line diff
--- a/repository_dependencies.xml	Wed Mar 27 15:25:33 2013 -0400
+++ b/repository_dependencies.xml	Sun Mar 31 13:10:35 2013 -0400
@@ -1,4 +1,4 @@
 <?xml version="1.0"?>
 <repositories description="This requires the Molecule datatype definitions (e.g. SMILES, InChI, SD-format).">
-    <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="molecule_datatypes" owner="bgruening" changeset_revision="7cb4c02f61e6" />
+	<repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="molecule_datatypes" owner="bgruening" changeset_revision="25698453d7d7" />
 </repositories>
--- a/tool_dependencies.xml	Wed Mar 27 15:25:33 2013 -0400
+++ b/tool_dependencies.xml	Sun Mar 31 13:10:35 2013 -0400
@@ -1,5 +1,20 @@
 <tool_dependency>
     <package name="openbabel" version="2.3.2">
-        <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_openbabel_2_3" owner="bgruening" changeset_revision="9e07452137da" />
+	<repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_openbabel_2_3" owner="bgruening" changeset_revision="9e07452137da" />
+    </package>
+    <package name="cheminfolib" version="0.1">
+        <install version="1.0">
+            <actions>
+                <action type="download_by_url">https://raw.github.com/bgruening/galaxytools/552bffa1b5d9e0ef6f8b84ed35a619dc3e58def1/chemicaltoolbox/cheminfolib.py</action>
+                <action type="move_file">
+                    <source>cheminfolib.py</source>
+                    <destination>$INSTALL_DIR</destination>
+                </action>
+                <action type="set_environment">
+                    <environment_variable name="PYTHONPATH" action="prepend_to">$INSTALL_DIR</environment_variable>
+                </action>
+            </actions>
+        </install>
+        <readme>cheminfolib is just a small helper library for the chemicaltoolbox project and has no further dependencies.</readme>
     </package>
 </tool_dependency>