setuptools
numpy>=1.20
pymatgen>=2022.0.2
monty>=3.0.1

[dev]
pre-commit>=2.12.1
cython>=0.29.28
pre-commit
flake8
pycodestyle
pydocstyle
pylint
black
isort

[docs]
sphinx==4.5.0
pydata-sphinx-theme==0.8.1
ipython==8.2.0
nbsphinx==0.8.8
nbsphinx-link==1.3.0
nb2plots==0.6.0

[tests]
pytest==7.1.1
pytest-cov==3.0.0
scikit-learn>=0.24.2
h5py>=3.5.0
coverage
