numpy<3,>=2.0.0
sympy>=1.13
ase>=3.23
h5py
pyyaml
hydra-core<2,>=1.3
torch<3,>=2.5.0
pytorch_lightning<3,>=2.6.1
torchmetrics
hydra-colorlog>=1.1.0
rich
fasteners
dirsync
torch-ema
matscipy>=1.1.0
tensorboard>=2.17.1
tensorboardX>=2.6.2.2
tqdm
petname
vesin
protobuf
progressbar

[dev]
pre-commit

[test]
pytest<9.2
pytest-datadir
pytest-benchmark
