Rework typing and cleanup - Githubissues

grimme-lab / dxtb

Efficient And Fully Differentiable Extended Tight-Binding

https://dxtb.readthedocs.io

Apache License 2.0

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Rework typing and cleanup #100

Closed marvinfriede closed 1 year ago

marvinfriede commented 1 year ago

change typing to support Python 3.8+
add py.typed marker file
fix xitorch import
update config files
add tox

hoelzerC commented 1 year ago

As discussed. Ready to merge.