Mercurial > repos > bgruening > qed

diff silicos_qed.xml @ 2:fc45bf8b6e01 draft

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"planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/chemicaltoolbox/silicos-it/qed commit 944ea4bb8a9cd4244152a4a4fecd0485fabc2ad0"
author bgruening
date Tue, 28 Jul 2020 08:47:05 -0400
parents ab73abead7fa
children 52a8d34dd08f
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--- a/silicos_qed.xml	Tue May 07 13:41:23 2019 -0400
+++ b/silicos_qed.xml	Tue Jul 28 08:47:05 2020 -0400
@@ -1,8 +1,12 @@
-<tool id="ctb_silicos_qed" name="Drug-likeness" version="0.2">
-    <description>quantitative estimation (QED)</description>
+<tool id="ctb_silicos_qed" name="Drug-likeness" version="@TOOL_VERSION@+galaxy@GALAXY_VERSION@">
+    <macros>
+        <token name="@TOOL_VERSION@">2019.03.1</token>
+        <token name="@GALAXY_VERSION@">0</token>
+    </macros>
+    <description>quantitative estimation (QED) with RDKit</description>
     <!--parallelism method="multi" split_inputs="infile" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="outfile"></parallelism-->
     <requirements>
-        <requirement type="package" version="2019.03.1">rdkit</requirement>
+        <requirement type="package" version="@TOOL_VERSION@">rdkit</requirement>
     </requirements>
     <command detect_errors="aggressive">
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