ase>=3.22.1
pymatgen==2022.2.10
custodian==2022.2.13
jobflow==0.1.6
atomate2==0.0.6
monty==2022.1.19
FireWorks==2.0.2
cclib==1.7.1

[dev]
pytest==7.0.1
black==22.1.0

[docs]
sphinx==4.4.0
numpydoc==1.2
m2r2==0.3.2
mistune==2.0.2
pydata-sphinx-theme==0.8.0
sphinx_panels==0.6.0

[tests]
pytest==7.0.1
