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aiidalab / aiidalab-widgets-base

Reusable widgets for AiiDAlab applications
MIT License
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SmilesWidget: Make openbabel dependency optional #369

Closed danielhollas closed 2 years ago

danielhollas commented 2 years ago

OpenBabel is a fallback to RDKit in this SmilesWidget, and as such is not critical to its function. Since openbabel is no longer automatically installed in the new aiidalab/full-stack image, it's better to make it optional.

(RDKit also is not part of the new image and needs to be installed)