numpy>=1.24.4
pymatgen>=2023.8.10
pygidsim<0.2.0,>=0.1.4
xrayutilities>=1.7.6
torch>=2.0.0
torchvision>=0.15.0

[dev]
pytest>=7.0.0
pytest-cov>=4.0.0
pytest-xdist>=3.0.0
pytest-mock>=3.10.0
black>=23.0.0
flake8>=6.0.0
isort>=5.12.0
mypy>=1.0.0
pre-commit>=3.0.0

[test]
pytest>=7.0.0
pytest-cov>=4.0.0
pytest-xdist>=3.0.0
pytest-mock>=3.10.0
