ase>=3.22.0
matplotlib>=3.5
numpy>=1.22
scipy>=1.7
mp-api>=0.45.0
pymatgen>=2023.7.1
monty>=2023.5.8
matcalc>=0.0.4
python-dotenv

[dev]
ruff
pre-commit
pytest
pytest-cov

[docs]
jupyter-book
sphinx
sphinx-autodoc-typehints
ghp-import

[mace]
mace-torch>=0.3.0
