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comparison pm_uep_opt.xml @ 5:eea73e1f65cb draft default tip

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 8e96fbcca17150ece3ee6bf15bf0969bd014a5ca
author muon-spectroscopy-computational-project
date Wed, 26 Jul 2023 17:23:11 +0000
parents ec5f6b22417c
children
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4:ec5f6b22417c 5:eea73e1f65cb
1 <tool id="pm_uep_opt" name="PyMuonSuite AIRSS UEP Optimise" version="@PYMUONSUITE_VERSION@+galaxy@WRAPPER_VERSION@" python_template_version="3.5" profile="22.05" license="MIT"> 1 <tool id="pm_uep_opt" name="PyMuonSuite AIRSS UEP Optimise" version="@PYMUONSUITE_VERSION@+galaxy@WRAPPER_VERSION@" python_template_version="3.5" profile="22.05" license="MIT">
2 <description>run UEP optimisation</description> 2 <description>run UEP optimisation</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="Jyothish" familyName="Thomas" identifier="https://orcid.org/0000-0003-4724-6924"/> 9 <person givenName="Jyothish" familyName="Thomas" identifier="https://orcid.org/0000-0003-4724-6924"/>
10 <person givenName="Eli" familyName="Chadwick" url="https://github.com/elichad" identifier="https://orcid.org/0000-0002-0035-6475"/> 10 <person givenName="Eli" familyName="Chadwick" url="https://github.com/elichad" identifier="https://orcid.org/0000-0002-0035-6475"/>
169 <assert_contents> 169 <assert_contents>
170 <has_size value="3280"/> 170 <has_size value="3280"/>
171 </assert_contents> 171 </assert_contents>
172 </output> 172 </output>
173 </test> 173 </test>
174 <!-- Expect total failure for badly formatted den_fmt --> 174 <!-- Expect failure for badly formatted den_fmt -->
175 <test expect_failure="true"> 175 <test expect_failure="true">
176 <param name="testing" value="true"/> 176 <param name="testing" value="true"/>
177 <param name="structure" value="Si.cell" ftype="cell"/> 177 <param name="structure" value="Si.cell" ftype="cell"/>
178 <param name="castep_log" value="Si.castep" ftype="castep"/> 178 <param name="castep_log" value="Si.castep" ftype="castep"/>
179 <param name="charge_density" value="Sifail.den_fmt" ftype="den_fmt"/> 179 <param name="charge_density" value="Sifail.den_fmt" ftype="den_fmt"/>
180 <assert_stderr> 180 <assert_stderr>
181 <has_text text="Error: FMT file has no header"/> 181 <has_text text="Error: FMT file has no header"/>
182 <has_text text="ERROR: All optimisations failed"/>
183 </assert_stderr> 182 </assert_stderr>
184 </test> 183 </test>
185 <!-- check that file_tree filter works --> 184 <!-- check that file_tree filter works -->
186 <test expect_num_outputs="1"> 185 <test expect_num_outputs="1">
187 <param name="testing" value="false"/> 186 <param name="testing" value="false"/>