ase>=3.26.0
scikit-learn>=1.6.1
pymatgen>=2026.3.23
huggingface-hub>=0.30.0
joblib>=1.4.2
phonopy>=4.2.0

[benchmark]
matminer>=0.10.1

[ci]
setuptools<82
codecov-cli>=10.3.0
coverage>=7.7.1
coveralls>=4.0.1
ipython>=8.34.0
jupyter>=1.1.1
maml>=2025.4.3
matgl>=4.1.0
matminer>=0.10.1
mp-api>=0.45.3
nbmake>=1.5.5
pre-commit>=4.2.0
pymatgen-analysis-defects>=2026.3.20
pymatgen-analysis-diffusion>=2025.11.15
pytest>=8.3.5
pytest-cov>=6.0.0
pytest-xdist>=3.6.1
seekpath>=2.1.0
phono3py>=4.2.0

[deepmd]
deepmd-kit[torch]>=3.2.0

[defects]
pymatgen-analysis-defects>=2026.3.20

[diffusion]
pymatgen-analysis-diffusion>=2025.11.15

[fairchem]
fairchem-core>=2

[grace]
tensorpotential>=0.5.1

[mace]
mace-torch>=0.3.15

[maml]
maml>=2025.4.3

[matgl]
matgl>=4.1.0

[mattersim]
mattersim

[orb]
pynanoflann>=0.10.0

[orb:python_version >= "3.12"]
orb-models>=0.6.0

[phonon]
seekpath

[phonon3]
phono3py>=4.2.0

[sevennet]
sevenn>=0.13.0

[upet]
upet>=0.3.0
