Migrate repo to fair-python-cookiecutter

[apirogov]

This repo should be updated to match roughly the structure and setup by the fair-python-cookiecutter, which we use as our default repo template. This would also help with #42 (because then there will be a CITATION.cff and codemeta file).

Ideally, this should be done after Materials-Data-Science-and-Informatics/fair-python-cookiecutter#1 to get a clean solution and not have to fix it again very soon.