openfe
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Consider relaxing upper pin on openff-toolkit
Right now we can't install the latest openff-toolkit (0.15.1)
with openfe
since we have a pin:
openff-toolkit >=0.13,<0.15
Looking at the changelog https://docs.openforcefield.org/projects/toolkit/en/stable/releasehistory.html some oof the bug fixes in the 0.15.x
line are useful, no relevant API breaks, and enables the use of modern QCFractal.
I propose we change the pin to >=0.13,<0.16
so we can guard against future major API breaks, but allow users to install the latest and greatest openff-toolkit
Let me know your thoughts @richardjgowers @IAlibay @hannahbaumann @dwhswenson @RiesBen