Mercurial > repos > chemteam > ambertools_acpype

comparison acpype.xml @ 2:0d640d752e8a draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit f3220c1839afe7f7d9172faa637daf202446b247"
author chemteam
date Wed, 12 Feb 2020 06:28:47 -0500
parents 597ee2f97479
children 27ee142314a9
comparison
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1:597ee2f97479 2:0d640d752e8a
2 <description>using acpype</description> 2 <description>using acpype</description>
3 <macros> 3 <macros>
4 <import>macros.xml</import> 4 <import>macros.xml</import>
5 </macros> 5 </macros>
6 <expand macro="requirements"> 6 <expand macro="requirements">
7 <requirement type="package" version="2019.07.02.16.09">acpype</requirement> 7 <requirement type="package" version="2019.10.05.12.26">acpype</requirement>
8 </expand> 8 </expand>
9 <command detect_errors="exit_code"><![CDATA[ 9 <command detect_errors="exit_code"><![CDATA[
10 ln -s '$input1' ./input1.${input1.ext} && 10 ln -s '$input1' ./input1.${input1.ext} &&
11 acpype -i './input1.${input1.ext}' 11 acpype -i './input1.${input1.ext}'
12 -n '$charge' 12 -n '$charge'