aiida-core<2.0.0,>=1.4.0
pyyaml
jsonextended>=0.7.10
jsonschema
spglib<2.0.0,>=1.10.0
ase<4.0.0,>=3.12.0
PyCifRW<5.0.0,>=4.4.1
importlib_resources

[code_style]
pre-commit~=2.6

[docs]
myst-nb~=0.10.1
sphinx-book-theme

[testing]
pgtest
pytest
coverage
pytest-cov
pytest-timeout
pytest-regressions
pytest-notebook
