Mercurial > repos > muon-spectroscopy-computational-project > pm_dftb_opt
view run.sh @ 2:6a99165bb7ca draft
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_dftb_opt commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
author | muon-spectroscopy-computational-project |
---|---|
date | Fri, 03 Feb 2023 15:39:23 +0000 |
parents | 43fb752fc295 |
children |
line wrap: on
line source
#! /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