ase>=3.22.0
numpy>=1.21.0
pandas>=1.3.0
pyyaml>=6.0
tqdm>=4.60.0
scipy>=1.7.0
matplotlib>=3.5.0
wfl==0.3.3
expyre-wfl==0.1.6
seaborn>=0.11.0
mace-torch>=0.3.0

[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
sphinxcontrib-napoleon>=0.7

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