ase
mpmath
numpy
optuna
scipy
pandas
tensorboard
openpmd-api>=0.15

[dev]
bump2version

[doc]
docutils==0.16
Sphinx==4.5.*
sphinx-rtd-theme==1.0.0
myst-parser==0.17.2
sphinx-markdown-tables==0.0.17
sphinx-copybutton==0.5.1

[experimental]
asap3
dftpy
minterpy

[opt]
oapackage

[test]
pytest
