h5py>=2.9.0
mendeleev>=0.1.0
more-itertools>=2.4.0
noodles>=0.3.4
numpy<2,>=1.17.3
scipy>=1.3.2
schema!=0.7.5,>=0.6.0
pyyaml>=5.1
plams==1.5.1
qmflows>=0.12.1
packaging>=17.1
Nano-Utils>=2.0.0

[doc]
sphinx>=2.1
sphinx_rtd_theme

[lint]
pydocstyle[toml]>=6.1
flake8>=5
Flake8-pyproject>=1.0.1
mypy
qmflows
numpy>=1.21
types-pyyaml
types-setuptools
pyparsing>=3.0.8
Nano-Utils>=2.0.0
Nano-CAT

[test]
assertionlib>=2.2.3
pytest>=5.4.0
pytest-cov>=2.3.1
pytest-mock>=0.4.0
ipython>=5.0.0
