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

diff pm_asephonons.xml @ 4:b47a2fd2b10f draft default tip

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_asephonons commit 389608650050596b28bc0c055de9f98c513a6f65
author muon-spectroscopy-computational-project
date Thu, 18 Jul 2024 09:07:17 +0000
parents fd28cbdb134e
children
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--- a/pm_asephonons.xml	Tue Jul 18 13:26:32 2023 +0000
+++ b/pm_asephonons.xml	Thu Jul 18 09:07:17 2024 +0000
@@ -2,7 +2,7 @@
     <description>calculate phonons using ASE and DFTB+</description>
     <macros>
         <!-- version of this tool wrapper (integer) -->
-        <token name="@WRAPPER_VERSION@">0</token>
+        <token name="@WRAPPER_VERSION@">1</token>
         <import>muon_macros.xml</import>
     </macros>
     <creator>
@@ -63,8 +63,8 @@
         </conditional>
     </inputs>
     <outputs>
-        <data label="phonons outputs of $pbc.structure.name" name="phonon_outputs" format="zip" from_work_dir="out_zip.zip"/>
-        <data label="phonon report for $pbc.structure.name" name="phonon_report" format="txt" from_work_dir="phonon_report.txt"/>
+        <data label="phonons outputs on ${on_string}" name="phonon_outputs" format="zip" from_work_dir="out_zip.zip"/>
+        <data label="phonon report on ${on_string}" name="phonon_report" format="txt" from_work_dir="phonon_report.txt"/>
     </outputs>
     <tests>
         <test expect_num_outputs="2">