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rdkit / mmpdb

A package to identify matched molecular pairs and use them to predict property changes.
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Remove vendered use of peewee #41

Closed adalke closed 2 years ago

adalke commented 2 years ago

mmpdb uses peewee as an adapter for different back-end databases.

I originally included a vendored version of peewee for easy of installation. I've removed that and am instead using an installation dependency on the "peewee" package.

That is, I removed peewee.py and playhouse/ and configured setup.cfg to have a installation dependency on peewee >= 3.0.

Turns out the peewee API changed from 2.x to 3.x, which occurred in 2018. A plus side of vendoring is that mmpdb was isolated from this change so we didn't have to worry about it until now. :)

I've updated mmpdb to work with the new peewee API.

adalke commented 2 years ago

This is implemented in the current 3.0 branch.