Mercurial > repos > muon-spectroscopy-computational-project > pm_dftb_opt
view run.sh @ 1:23cb25b1d776 draft
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_dftb_opt commit 1f0d5da860dd5cd0ffceac7a292773ed53617324
author | muon-spectroscopy-computational-project |
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date | Thu, 15 Sep 2022 10:19:38 +0000 |
parents | 43fb752fc295 |
children |
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#! /bin/bash set -o errexit [ ! -d "$1/dftb+" ] && ( echo 1>&2 "no dftb+ structures found" && exit 2 ) for x in $1/dftb+/* do if ! out=$(echo $x && cd $x && dftb+) then echo 1>&2 "$out"; exit 3 else echo "$out" fi done || exit