nlesc-CAT>=0.10.0
nano-CAT>=0.7.0
data-CAT>=0.7.0
plams>=1.5.1
more_itertools
numpy
pandas
pyyaml>=5.1.1
schema!=0.7.5
typing_extensions
h5py

[doc]
sphinx
sphinx-autodoc-typehints
sphinx_rtd_theme
nbsphinx

[test]
coverage
mypy
pycodestyle
pytest>=3.9
pytest-cov
pytest-mock
