Mercurial > repos > chemteam > ambertools_acpype

comparison acpype.xml @ 10:da6bd1975a71 draft

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"planemo upload for repository https://github.com/galaxycomputationalchemistry/galaxy-tools-compchem/ commit 7583aecdb001e76ca6ddf440f60de4c534f61c66"
author chemteam
date Mon, 20 Sep 2021 09:48:17 +0000
parents 710301bc46fa
children
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9:6ca543ec1bf8 10:da6bd1975a71
3 <macros> 3 <macros>
4 <import>macros.xml</import> 4 <import>macros.xml</import>
5 <token name="@GALAXY_VERSION@">0</token> 5 <token name="@GALAXY_VERSION@">0</token>
6 </macros> 6 </macros>
7 <expand macro="requirements"> 7 <expand macro="requirements">
8 <requirement type="package" version="2020.10.24.12.16">acpype</requirement> 8 <requirement type="package" version="2021.02.05.22.15">acpype</requirement>
9 </expand> 9 </expand>
10 <command detect_errors="exit_code"><![CDATA[ 10 <command detect_errors="exit_code"><![CDATA[
11 ln -s '$input1' ./input1.${input1.ext} && 11 ln -s '$input1' ./input1.${input1.ext} &&
12 acpype -i './input1.${input1.ext}' 12 acpype -i './input1.${input1.ext}'
13 -n '$charge' 13 -n '$charge'