ase>=3.23
matplotlib>=3.7
numpy>=1.24
pymatgen>=2024.1
scipy>=1.10
spglib>=2.0
pyyaml>=6.0
torch>=2.0

[all]
mace-torch>=0.3.10
e3nn>=0.4.4
m3gnet>=0.2.4
tensorflow>=2.15
fairchem-core>=1.10
calorine>=0.2

[calorine]
calorine>=0.2

[dev]
pytest>=7.0
build>=1.0
twine>=4.0

[fairchem]
fairchem-core>=1.10

[m3gnet]
m3gnet>=0.2.4
tensorflow>=2.15

[mace]
mace-torch>=0.3.10
e3nn>=0.4.4

[upet]
upet

[uqphonon]
uqphonon
