Mercurial > repos > muon-spectroscopy-computational-project > pm_dftb_opt

changeset 3:996f777bec11 draft default tip

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_dftb_opt commit 389608650050596b28bc0c055de9f98c513a6f65
author muon-spectroscopy-computational-project
date Fri, 26 Jul 2024 12:57:29 +0000
parents 6a99165bb7ca
children
files pm_dftb_opt.xml
diffstat 1 files changed, 2 insertions(+), 2 deletions(-) [+]
line wrap: on
line diff
--- a/pm_dftb_opt.xml	Fri Feb 03 15:39:23 2023 +0000
+++ b/pm_dftb_opt.xml	Fri Jul 26 12:57:29 2024 +0000
@@ -4,7 +4,7 @@
         <!-- version of underlying tool (PEP 440) -->
         <token name="@TOOL_VERSION@">0.2.3</token>
         <!-- version of this tool wrapper (integer) -->
-        <token name="@WRAPPER_VERSION@">0</token>
+        <token name="@WRAPPER_VERSION@">1</token>
         <!-- citation should be updated with every underlying tool version -->
         <!-- typical fields to update are version, month, year, and doi -->
         <token name="@PYMUONSUITE_CITATION@">
@@ -54,7 +54,7 @@
         <param type="hidden" name="testing" label="Test mode" value="false"/>
     </inputs>
     <outputs>
-        <data label="DFTB results for $muonated_structures.name" name="dftb_results" format="zip" from_work_dir="dftb_results.zip"/>
+        <data label="DFTB results on ${on_string}" name="dftb_results" format="zip" from_work_dir="dftb_results.zip"/>
         <data label="File tree (testing only)" name="file_tree" format="txt" from_work_dir="tree.txt" hidden="true">
             <filter>(testing == "true")</filter>
         </data>