# HG changeset patch
# User recetox
# Date 1721917638 0
# Node ID 6e1ef071fffcf438f0c8ca916c457ff2c3b690bb
# Parent  cba7123c27413e2d09927d72486099f3a6890302
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/xtb commit 68505a19637f8374cc5bde7e6b9370647a064ca9

diff -r cba7123c2741 -r 6e1ef071fffc macros.xml
--- a/macros.xml	Tue Jun 18 07:53:15 2024 +0000
+++ b/macros.xml	Thu Jul 25 14:27:18 2024 +0000
@@ -1,5 +1,13 @@
 <macros>
     <token name="@TOOL_VERSION@">6.6.1</token>
+    <xml name="edam">
+        <edam_topics>
+            <edam_topic>topic_3332</edam_topic>
+        </edam_topics>
+        <edam_operations>
+            <edam_operation>operation_0297</edam_operation>
+        </edam_operations>
+    </xml>
     <xml name="creator">
     <creator>
         <person
diff -r cba7123c2741 -r 6e1ef071fffc xtb_molecular_optimization.xml
--- a/xtb_molecular_optimization.xml	Tue Jun 18 07:53:15 2024 +0000
+++ b/xtb_molecular_optimization.xml	Thu Jul 25 14:27:18 2024 +0000
@@ -1,8 +1,9 @@
-<tool id="xtb_molecular_optimization" name="xtb molecular optimization" version="@TOOL_VERSION@+galaxy2" profile="21.09">
+<tool id="xtb_molecular_optimization" name="xtb molecular optimization" version="@TOOL_VERSION@+galaxy3" profile="21.09">
     <description>Semiempirical quantum mechanical molecular optimization method</description>
     <macros>
         <import>macros.xml</import>
     </macros>
+    <expand macro="edam"/>
     <expand macro="creator"/>
     <requirements>
         <requirement type="package" version="@TOOL_VERSION@">xtb</requirement>