h5py>=2.9.0
mendeleev>=0.1.0
more-itertools>=2.4.0
noodles>=0.3.3
numpy>=1.17.1
scipy>=1.1.0
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
pycodestyle
mypy
qmflows
numpy>=1.21
types-pyyaml
types-setuptools
pyparsing>=3.0.8
Nano-Utils>=2.0.0

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