ase>=3.23.0
numpy
pandas>=0.23
scikit-learn
scipy

[additional_features]
phonopy
spglib
torch
tqdm

[documentation]
nbsphinx
pydata-sphinx-theme
sphinx
sphinx-autodoc-typehints
sphinx-design
sphinx-sitemap

[test]
coverage
flake8
flake8-quotes
matplotlib
nbmake
phonopy
pytest
spglib
xdoctest
