h5py
mendeleev
more-itertools
noodles>=0.3.3
numpy
scipy
schema
pyyaml>=5.1
plams>=1.5.1
qmflows>=0.12.0
packaging>=1.16.8
Nano-Utils>=2.0.0

[doc]
sphinx>=2.1
sphinx-autodoc-typehints
sphinx_rtd_theme
nbsphinx

[test]
assertionlib
codacy-coverage
pytest
pytest-cov
pytest-mock
setuptools
ipython
