Add Dockerfile; add command line parsing

[reinoud]

Proposed changes

• To enable isolation of the installation, a Dockerfile is added to build a container.
• Since the container runs in a different environment, command-line arguments were added to facilitate output files in a different location. The default behaviour and normal usage of the script was not changed

Type of change

• Bugfix (non-breaking change which fixes an issue)
• New feature (non-breaking change which adds functionality)
• Breaking change (fix or feature that would cause existing functionality to not work as expected)
• Documentation update (if none of the other choices apply)

Checklist

• Add or update tests that prove the fix is effective or that the feature works
• Add or update workflows for deployment
• Add or update README, CHANGELOG

Outcome

• The README now has a section with the usage and output when running the docker image from the command line

[kyhau]

LGTM, thanks for your contribution @reinoud!