Mercurial > repos > bgruening > sucos_max_score

changeset 6:55ac04db36aa draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/sucos commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:47:57 -0400
parents d4c67ced6abc
children 9b48456a96fe
files sucos_macros.xml sucos_max.xml
diffstat 2 files changed, 5 insertions(+), 3 deletions(-) [+]
line wrap: on
line diff
--- a/sucos_macros.xml	Wed Apr 15 09:26:07 2020 -0400
+++ b/sucos_macros.xml	Tue Jul 28 08:47:57 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>
--- a/sucos_max.xml	Wed Apr 15 09:26:07 2020 -0400
+++ b/sucos_max.xml	Tue Jul 28 08:47:57 2020 -0400
@@ -1,7 +1,8 @@
-<tool id="sucos_max_score" name="Max SuCOS score" version="0.2.3">
+<tool id="sucos_max_score" name="Max SuCOS score" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
     <description>- determine maximum SuCOS score of ligands against clustered fragment hits</description>
     <macros>
         <import>sucos_macros.xml</import>
+        <token name="@GALAXY_VERSION@">0</token>
     </macros>
     <expand macro="requirements"/>
     <command detect_errors="exit_code"><![CDATA[
@@ -54,7 +55,7 @@
                 <assert_contents>
                     <has_text text="Max_SuCOS_Score" />
                     <has_text text="Cum_SuCOS_Score" />
-                    <has_n_lines n="686" />
+                    <has_n_lines n="463" />
                 </assert_contents>
             </output>
         </test>