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
flake8>=3.8.0
pyflakes>=2.1.1
pytest-flake8>=1.0.6
pydocstyle>=5.0.0
pytest-pydocstyle>=2.1
pytest-mypy>=0.6.2
twine
wheel
