more-itertools
h5py
numpy
pandas
noodles==0.3.3
plams>=1.5.1
pyparsing<3.0
pyyaml>=5.1
filelock

[doc]
sphinx!=3.1.1,>=2.1
sphinx-autodoc-typehints
sphinx_rtd_theme
nbsphinx
jupyter
pandoc

[test]
mypy
types-PyYAML
types-setuptools
assertionlib>=3.1.0
pytest>=5.4
pytest-cov
pytest-mock
pytest-pycodestyle
pytest-pydocstyle>=2.1
typing_extensions
sphinx!=3.1.1,>=2.1
sphinx-autodoc-typehints
sphinx_rtd_theme
nbsphinx
jupyter
pandoc

[test_no_optional]
assertionlib>=3.1.0
pytest>=5.4
pytest-cov
pytest-mock
pytest-pycodestyle
pytest-pydocstyle>=2.1
typing_extensions
