Nano-Utils>=2.3
pyyaml>=5.1
numpy>=1.17
scipy>=1.2
pandas>=0.24
schema!=0.7.5,>=0.7.1
AssertionLib>=2.3
noodles>=0.3.3
h5py>=2.10
qmflows>=0.11.0
plams>=1.5.1

[docs]
sphinx>=2.4
sphinx_rtd_theme>=0.3.0
matplotlib>=3.0

[test]
ase>=3.21.1
nlesc-CAT>=0.10.0
pytest>=5.4.0
pytest-cov
sphinx>=2.4
sphinx_rtd_theme>=0.3.0
matplotlib>=3.0

[test_no_optional]
pytest>=5.4.0
pytest-cov
