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Update packaging #85
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There appears to be no DGL on 3.12? |
Thanks @mattwthompson ! I should clarify, I was mostly just reading Re: |
Yeah, in principle, bringing things up to current recommended practice is within POSE scope. Although TBH, I'm going to have to learn how to do the I assume this isn't an urgent task? A broader plan to transition OpenFF projects to |
This repo is Lily's domain but in general, for our infrastructure I don't see any urgency. (I never know how to properly use commas and in this sentence I can see four places a comma might go and maybe half of the use/don't use combinations look valid to my eye. I'm glad I went into science, where important writing is proofread by people who know better.) When we get to it, I'd like to learn more about the tradeoffs - until I can ship our ecosystem on PyPI I'm unaware of the benefits |
FWIW this repo started off with a mostly-functional pyproject.toml, so it should be in the history somewhere and can be revived! I removed it due to #28 and haven't revisited it yet, but can do if/when it becomes a priority. |
There's no OpenEye for 3.12 currently either, but I've added tests for non-DGL, RDKit-only installations in #87. |
Is your feature request related to a problem?
Follow up from previous issues - a few nice to haves to packaging especially as we start looking at supporting NAGL downstream.
Describe the solution you'd like
Couple of quick thoughts, there's probably more:
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