There are Dockerfiles for the following versions:

• 6.2.0

The image is available on dockerhub:

docker pull materialstheory/qe-6.2.0

The executables are in the $PATH. One way of running pw.x on a file scf.in in the current folder is:

docker run -it --rm -v $(pwd):/data -u $(id -u) materialstheory/qe-6.2.0 \
       sh -c "cd /data && mpirun -np 2  pw.x < scf.in > scf.out"

Make sure that in the input file, pseudo_dir is set correctly so that the pseudopotentials are accessible below the current directory.