setuptools
numpy>=1.23
pymatgen>=2022.3.24
monty>=v2022.9.8

[dev]
pre-commit>=2.12.1
cython>=0.29.32
flake8
pycodestyle
pydocstyle
pylint
black
isort

[docs]
sphinx>=5.3
pydata-sphinx-theme>=0.12.0
ipython>=8.2.0
nbsphinx>=0.8.10
nbsphinx-link>=1.3.0
nb2plots>=0.6.1

[optional]
scikit-learn>=1.1.2
h5py>=3.6.0
polytope
cvxpy
cvxopt
gurobipy

[tests]
pytest>=7.2.0
pytest-cov>=4.0.0
scikit-learn>=1.1.2
h5py>=3.6.0
coverage
polytope
cvxpy
