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

comparison pm_nq.xml @ 2:37a2a5686710 draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_nq commit 389608650050596b28bc0c055de9f98c513a6f65
author muon-spectroscopy-computational-project
date Fri, 26 Jul 2024 12:57:47 +0000
parents f08b8c705e74
children
comparison
equal deleted inserted replaced
1:f08b8c705e74 2:37a2a5686710
1 <tool id="pm_nq" name="PyMuonSuite Quantum Averaging" version="@PYMUONSUITE_VERSION@+galaxy@WRAPPER_VERSION@" python_template_version="3.5" profile="22.05"> 1 <tool id="pm_nq" name="PyMuonSuite Quantum Averaging" version="@PYMUONSUITE_VERSION@+galaxy@WRAPPER_VERSION@" python_template_version="3.5" profile="22.05">
2 <description>generate and average displaced structures</description> 2 <description>generate and average displaced structures</description>
3 <macros> 3 <macros>
4 <!-- version of this tool wrapper (integer) --> 4 <!-- version of this tool wrapper (integer) -->
5 <token name="@WRAPPER_VERSION@">0</token> 5 <token name="@WRAPPER_VERSION@">1</token>
6 <import>muon_macros.xml</import> 6 <import>muon_macros.xml</import>
7 </macros> 7 </macros>
8 <creator> 8 <creator>
9 <person givenName="Patrick" familyName="Austin" url="https://github.com/patrick-austin" identifier="https://orcid.org/0000-0002-6279-7823"/> 9 <person givenName="Patrick" familyName="Austin" url="https://github.com/patrick-austin" identifier="https://orcid.org/0000-0002-6279-7823"/>
10 <organization url="https://muon-spectroscopy-computational-project.github.io/index.html" name="The Muon Spectroscopy Computational Project"/> 10 <organization url="https://muon-spectroscopy-computational-project.github.io/index.html" name="The Muon Spectroscopy Computational Project"/>
159 </when> 159 </when>
160 </conditional> 160 </conditional>
161 <param type="hidden" name="testing" label="Test mode" value="false"/> 161 <param type="hidden" name="testing" label="Test mode" value="false"/>
162 </inputs> 162 </inputs>
163 <outputs> 163 <outputs>
164 <data label="Displaced Structures" name="displaced_structures" format="zip" from_work_dir="out_zip.zip"> 164 <data label="Displaced Structures on ${on_string}" name="displaced_structures" format="zip" from_work_dir="out_zip.zip">
165 <filter>(task['task'] == 'write')</filter> 165 <filter>(task['task'] == 'write')</filter>
166 </data> 166 </data>
167 <data label="File tree (testing only)" name="file_tree" format="txt" from_work_dir="tree.txt" hidden="true"> 167 <data label="File tree (testing only)" name="file_tree" format="txt" from_work_dir="tree.txt" hidden="true">
168 <filter>(task['task'] == 'write' and testing == 'true')</filter> 168 <filter>(task['task'] == 'write' and testing == 'true')</filter>
169 </data> 169 </data>
170 <data label="Averaged Property" name="averaged_property" format="txt" from_work_dir="averages.dat"> 170 <data label="Averaged Property on ${on_string}" name="averaged_property" format="txt" from_work_dir="averages.dat">
171 <filter>(task['task'] == 'read')</filter> 171 <filter>(task['task'] == 'read')</filter>
172 </data> 172 </data>
173 </outputs> 173 </outputs>
174 <tests> 174 <tests>
175 <!-- Test CASTEP without default values --> 175 <!-- Test CASTEP without default values -->