Dockerfile for DFT and MD computer codes inside AiiDA-core-with-services :

• Quantum ESPRESSO
• ABINIT
• LAMMPS
• Wannier90
• TB2J
• AiiDA Shell
• and several other analysis tools on linux

podman build --format=docker --build-arg=proxy=<proxy> --build-arg=workers=<num_workers> -t dockerDFT .