This image contains the
pw.x program from the Quantum Espresso suite. You can use it to run Quantum Espresso in a standardized, highly reproducible manner:
> docker pull citrine/qe-pw > cd $RUNDIR > docker run -v `pwd`:/home/rundir citrine/qe-pw -i $INPUT
RUNDIR is a directory containing the input files (and where the output files will be written) and
INPUT is the name of the input namelist file. By default,
pw.x will be run with all available cores.
Source is available here.