| Previous changeset 1:cba7123c2741 (2024-06-18) |
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Commit message:
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/xtb commit 68505a19637f8374cc5bde7e6b9370647a064ca9 |
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modified:
macros.xml xtb_molecular_optimization.xml |
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| 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 |
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| @@ -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 |
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| 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 |
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| @@ -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> |