Mercurial > repos > bgruening > chemfp

changeset 15:bb8815ec9c7a

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Uploaded
author bgruening
date Sun, 26 May 2013 07:00:10 -0400
parents 7dbbb11bbf91
children 8a9296a5e48f
files chemfp_clustering/nxn_clustering.xml tool_dependencies.xml
diffstat 2 files changed, 6 insertions(+), 1 deletions(-) [+]
line wrap: on
line diff
--- a/chemfp_clustering/nxn_clustering.xml	Sat May 25 12:55:20 2013 -0400
+++ b/chemfp_clustering/nxn_clustering.xml	Sun May 26 07:00:10 2013 -0400
@@ -3,6 +3,8 @@
     <requirements>
         <requirement type="package" version="1.7.0">numpy</requirement>
         <requirement type="package" version="1.1p1">chemfp</requirement>
+        <requirement type="package" version="1.2.1">matplotlib</requirement>
+        <requirement type="package" version="0.12">scipy</requirement>
     </requirements>
     <command interpreter='python'>
         nxn_clustering.py 
--- a/tool_dependencies.xml	Sat May 25 12:55:20 2013 -0400
+++ b/tool_dependencies.xml	Sun May 26 07:00:10 2013 -0400
@@ -4,7 +4,7 @@
         <repository changeset_revision="87b2d2831a31" name="package_rdkit_2012_12" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu" />
     </package>
     <package name="numpy" version="1.7.1">
-        <repository changeset_revision="7283651b62fe" name="package_numpy_1_7" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu" />
+        <repository changeset_revision="1aa6410e151b" name="package_numpy_1_7" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu" />
     </package>
     <package name="matplotlib" version="1.2.1">
         <repository changeset_revision="d97ad8847fc4" name="package_matplotlib_1_2" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu" />
@@ -12,4 +12,7 @@
     <package name="chemfp" version="1.1p1">
         <repository changeset_revision="00e31088ff16" name="package_chemfp_1_1" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu" />
     </package>
+    <package name="scipy" version="0.12.0">
+        <repository changeset_revision="2f333d603c2b" name="package_scipy_0_12" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu" />
+    </package>
 </tool_dependency>