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I’ll be offline next Fri (oct 11) and the following weds (oct 16)
Bespokefit+fragmenter issue seem to stem in latest RDKit release (2024.03.6), possibly only with new versions of mamba/micromamba(?).
Can fix CI by pinning to 2024.03.5
Probably need to propagate to bespokefit/fragmenter conda package pins as well
Working on a reproducing example that I can pass up to RDKit issue tracker
MT – Plan is sound. Patching c-f packages can be a pain. A clean reproducing issue will help but it may take a while. Wish it were easier. Agree severity is uncertain since we’re not seeing reports from other folks.
We’re finalizing performance review process, I’ll reach out to you to schedule a review with you in the next few weeks.
Re: IA’s message - I’ll need to coordinate your and DM/JE’s schedules to find a time - Are there any rules of thumb for when you AREN’T available?
MT – I’m fairly unconstrained. Just want to land within 8:30-5 US central, rest is on OpenFF calendar. My standups with ZB and JE are mobile, but scheduled at 1 PM central