Mercurial > repos > bgruening > sucos_clustering

changeset 5:12725d4b90f3 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:48:16 -0400
parents 791c86130585
children b8725fec8c7b
files sucos_cluster.xml sucos_macros.xml
diffstat 2 files changed, 5 insertions(+), 3 deletions(-) [+]
line wrap: on
line diff
--- a/sucos_cluster.xml	Wed Apr 15 09:26:30 2020 -0400
+++ b/sucos_cluster.xml	Tue Jul 28 08:48:16 2020 -0400
@@ -1,7 +1,8 @@
-<tool id="sucos_clustering" name="Cluster ligands using SuCOS" version="0.1.1">
+<tool id="sucos_clustering" name="Cluster ligands using SuCOS" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
     <description>based on the overlap of 3D features</description>
     <macros>
         <import>sucos_macros.xml</import>
+        <token name="@GALAXY_VERSION@">0</token>
     </macros>
     <expand macro="requirements">
         <requirement type="package" version="1.3.0">scipy</requirement>
@@ -23,7 +24,7 @@
     <tests>
         <test>
             <param name="input" ftype="sdf" value="sucos_cluster.sdf"/>
-            <output_collection name="clusters" type="list" count="6">
+            <output_collection name="clusters" type="list" count="8">
                 <element name="cluster1" ftype="sdf" file="cluster1.sdf" compare="sim_size" />
                 <element name="cluster2" ftype="sdf" file="cluster2.sdf" compare="sim_size" />
                 <element name="cluster3" ftype="sdf" file="cluster3.sdf" compare="sim_size" />
--- a/sucos_macros.xml	Wed Apr 15 09:26:30 2020 -0400
+++ b/sucos_macros.xml	Tue Jul 28 08:48:16 2020 -0400
@@ -1,4 +1,5 @@
 <macros>
+    <token name="@TOOL_VERSION@">2020.03.4</token>
     <xml name="citations">
         <citations>
             <citation type="doi">10.26434/chemrxiv.8100203.v1</citation>
@@ -12,7 +13,7 @@
     </xml>
     <xml name="requirements">
         <requirements>
-            <requirement type="package" version="2019.03.2.0">rdkit</requirement>
+            <requirement type="package" version="@TOOL_VERSION@">rdkit</requirement>
             <yield />
         </requirements>
     </xml>