Mercurial > repos > bgruening > silicos_it

changeset 16:4fe6069549ef

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
ChemicalToolBoX update.
author Bjoern Gruening <bjoern.gruening@gmail.com>
date Wed, 29 May 2013 20:24:02 +0200
parents 172caea2920d
children 62897185a803
files repository_dependencies.xml tool_dependencies.xml
diffstat 2 files changed, 9 insertions(+), 11 deletions(-) [+]
line wrap: on
line diff
--- a/repository_dependencies.xml	Tue May 28 23:11:38 2013 +0200
+++ b/repository_dependencies.xml	Wed May 29 20:24:02 2013 +0200
@@ -1,3 +1,4 @@
+<?xml version='1.0' encoding='utf-8'?>
 <repositories description="This requires the Molecule datatype definitions (e.g. SMILES, InChI, SD-format).">
-    <repository changeset_revision="c5383bd4d006" name="molecule_datatypes" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu/" />
-</repositories>
+    <repository changeset_revision="a1474892287e" name="molecule_datatypes" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu/" />
+</repositories>
\ No newline at end of file
--- a/tool_dependencies.xml	Tue May 28 23:11:38 2013 +0200
+++ b/tool_dependencies.xml	Wed May 29 20:24:02 2013 +0200
@@ -1,12 +1,13 @@
+<?xml version='1.0' encoding='utf-8'?>
 <tool_dependency>
     <package name="numpy" version="1.7.1">
-        <repository changeset_revision="1aa6410e151b" name="package_numpy_1_7" owner="bgruening" prior_installation_required="True" toolshed="http://testtoolshed.g2.bx.psu.edu/" />
+        <repository changeset_revision="ad6ebe2c75ef" name="package_numpy_1_7" owner="bgruening" prior_installation_required="True" toolshed="http://testtoolshed.g2.bx.psu.edu/" />
     </package>
     <package name="openbabel" version="2.3.2">
-        <repository changeset_revision="ccda1b8ebc72" name="package_openbabel_2_3" owner="bgruening" prior_installation_required="True" toolshed="http://testtoolshed.g2.bx.psu.edu/" />
+        <repository changeset_revision="3a993ff17df5" name="package_openbabel_2_3" owner="bgruening" prior_installation_required="True" toolshed="http://testtoolshed.g2.bx.psu.edu/" />
     </package>
     <package name="rdkit" version="2012_12_1">
-        <repository changeset_revision="884c95a27e40" name="package_rdkit_2012_12" owner="bgruening" prior_installation_required="True" toolshed="http://testtoolshed.g2.bx.psu.edu/" />
+        <repository changeset_revision="8df0530b1c1c" name="package_rdkit_2012_12" owner="bgruening" prior_installation_required="True" toolshed="http://testtoolshed.g2.bx.psu.edu/" />
     </package>
     <package name="silicos_it" version="1.0.0">
         <install version="1.0">
@@ -14,14 +15,12 @@
                 
                 <action type="download_by_url">http://www.silicos-it.com/_php/download.php?file=strip-it-1.0.1.tar.gz</action>
 
-                
                 <action type="set_environment_for_install">
-                    <repository changeset_revision="ccda1b8ebc72" name="package_openbabel_2_3" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu/">
+                    <repository changeset_revision="3a993ff17df5" name="package_openbabel_2_3" owner="bgruening" toolshed="http://testtoolshed.g2.bx.psu.edu/">
                         <package name="openbabel" version="2.3.2" />
                     </repository>
                 </action>
 
-                
                 <action type="shell_command">
                     cd strip-it-1.0.1 &amp;&amp;
                     cmake . -DOPENBABEL2_INCLUDE_DIRS=$OPENBABEL_INCLUDE_DIR/openbabel-2.0/ -DCMAKE_INSTALL_PREFIX=$INSTALL_DIR/strip-it/ -DOPENBABEL2_LIBRARIES=$OPENBABEL_LIB_DIR/libopenbabel.so &amp;&amp; 
@@ -31,7 +30,6 @@
                     <environment_variable action="prepend_to" name="PATH">$INSTALL_DIR/strip-it/bin</environment_variable>
                 </action>
 
-                
                 <action type="shell_command">wget http://www.silicos-it.com/_php/download.php?file=align-it-1.0.3.tar.gz</action>
                 <action type="shell_command">tar xfvz download.php?file=align-it-1.0.3.tar.gz &amp;&amp; 
                     cd align-it-1.0.3 &amp;&amp; 
@@ -42,7 +40,6 @@
                     <environment_variable action="prepend_to" name="PATH">$INSTALL_DIR/align-it/bin</environment_variable>
                 </action>
 
-                
                 <action type="shell_command">wget http://www.silicos-it.com/_php/download.php?file=shape-it-1.0.1.tar.gz</action>
                 <action type="shell_command">tar xfvz download.php?file=shape-it-1.0.1.tar.gz &amp;&amp; 
                     cd shape-it-1.0.1 &amp;&amp; 
@@ -57,4 +54,4 @@
         </install>
         <readme>Compiling silicos-it requires g++ and CMake 2.4+.</readme>
     </package>
-</tool_dependency>
+</tool_dependency>
\ No newline at end of file