h5py>=3.0.0
numpy
pandas
pymongo
Nano-Utils>=0.4.3
AssertionLib>=2.2.0
plams>=1.5.1
nlesc-CAT>=0.10.0

[build]
twine
wheel

[test]
pytest>=5.4.0
pytest-cov
nlesc-CAT>=0.10.1
twine
wheel
