numpy>=2.0.0
sympy<=1.12
ase>=3.21
h5py
pyyaml
hydra-core>=1.1.0
torch>=1.9
pytorch_lightning>=2.0.0
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
pre-commit
black
protobuf

[test]
pytest
pytest-datadir
pytest-benchmark
