Mercurial > repos > chemteam > ambertools_acpype

comparison acpype.xml @ 1:597ee2f97479 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 3b99f08f22b9e0c16c0a0adc82f8c16c1a25cedf"
author chemteam
date Mon, 07 Oct 2019 12:46:24 -0400
parents 2e202f6c3034
children 0d640d752e8a
comparison
equal deleted inserted replaced
0:2e202f6c3034 1:597ee2f97479
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="0.1.0">acpype</requirement> 7 <requirement type="package" version="2019.07.02.16.09">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'