ase>=3.22.0
numpy>=2.0.0
pandas>=1.3.0
pyyaml>=6.0
tqdm>=4.60.0
scipy>=1.7.0
matplotlib>=3.5.0
expyre-wfl>=0.1.0
mp_api>=0.40.0
emmet-core<0.86.0
seaborn>=0.11.0
mace-torch>=0.3.0
pathlib>=1.0.0
sage_lib>=0.1.9.13
polars>=0.20.0
deduplicate-lib>=0.1.0

[dev]
pytest>=7.0
pytest-cov>=4.0
pytest-mock>=3.10
pytest-xdist>=3.0
ruff>=0.1.0
mypy>=1.0
pre-commit>=3.0

[docs]
sphinx>=6.0
sphinx-rtd-theme>=1.2
myst-parser>=0.18
sphinxcontrib-napoleon>=0.7

[test]
pytest>=7.0
pytest-cov>=4.0
pytest-mock>=3.10
pytest-xdist>=3.0
