Mercurial > repos > bgruening > rdkit

changeset 5:dcb775f2d56a

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Uploaded
author bgruening
date Sat, 11 May 2013 17:15:05 -0400
parents 310c94e769a5
children ab957f3fe5f5
files repository_dependencies.xml tool_dependencies.xml
diffstat 2 files changed, 5 insertions(+), 1 deletions(-) [+]
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/repository_dependencies.xml	Sat May 11 17:15:05 2013 -0400
@@ -0,0 +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="1a070566e9c6" />
+</repositories> 
--- a/tool_dependencies.xml	Fri May 03 08:28:09 2013 -0400
+++ b/tool_dependencies.xml	Sat May 11 17:15:05 2013 -0400
@@ -1,5 +1,5 @@
 <tool_dependency>
     <package name="rdkit" version="2012_12_1">
-        <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_rdkit_2012_12" owner="bgruening" changeset_revision="0adc830e7d71" prior_installation_required="True" />
+        <repository toolshed="http://testtoolshed.g2.bx.psu.edu/" name="package_rdkit_2012_12" owner="bgruening" changeset_revision="158956be0623" prior_installation_required="True" />
     </package>
 </tool_dependency>