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comparison pm_uep_opt.xml @ 1:904815426ba8 draft

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 1f0d5da860dd5cd0ffceac7a292773ed53617324
author muon-spectroscopy-computational-project
date Thu, 15 Sep 2022 10:20:50 +0000
parents e4097a3e3e75
children 8f41a71fc710
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0:e4097a3e3e75 1:904815426ba8
27 </creator> 27 </creator>
28 <requirements> 28 <requirements>
29 <requirement type="package" version="@TOOL_VERSION@">pymuonsuite</requirement> 29 <requirement type="package" version="@TOOL_VERSION@">pymuonsuite</requirement>
30 <requirement type="package" version="3.0">zip</requirement> 30 <requirement type="package" version="3.0">zip</requirement>
31 </requirements> 31 </requirements>
32 <required_files>
33 <include type="literal" path="run.sh"/>
34 <include type="literal" path="get_out_folder.py"/>
35 </required_files>
32 <command detect_errors="exit_code"><![CDATA[ 36 <command detect_errors="exit_code"><![CDATA[
33 unzip "$muonated_structures" && 37 unzip "$muonated_structures" &&
34 if test -f "params.yaml"; then echo "params.yaml present"; else echo "params.yaml missing" && exit 64; fi && 38 if test -f "params.yaml"; then echo "params.yaml present"; else echo "params.yaml missing" && exit 64; fi &&
35 if ( test -f input_structure.* ) ; then echo "input structure present"; else echo "input structure missing" && exit 64; fi && 39 if ( test -f input_structure.* ) ; then echo "input structure present"; else echo "input structure missing" && exit 64; fi &&
36 charge_density_name=\$(sed 's/ //g' <<< "$charge_density.name") && 40 charge_density_name=\$(sed 's/ //g' <<< "$charge_density.name") &&