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Will review in a separate issue - irrc there was some kind of change in behaviour that had to be introduced so the idea was to ensure backwards compatibility with it. I think we can drop it now, but I'd have to double check it makes sense. |
IAlibay
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IAlibay
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Co-authored-by: Irfan Alibay <IAlibay@users.noreply.github.com>
IAlibay
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macos-13 runners are deprecated. I also bumped the python versions according to SPEC0/ the rest of the openfe ecosystem.
Not sure if we still want to be testing against rdkit 2021 - @IAlibay ?