2021-07-15 Dotson/Wagner OpenFF-benchmark release

Participants

  • @Jeffrey Wagner

  • @David Dotson

Discussion topics

Item

Notes

Item

Notes

Possible release blockers

  • Lorenzo changes

    • Getting this PR merged with the requested changes before the release is important, since Xavier Lucas and other will need to request work from their IT departments to update openff-benchmark. So if this release doesn’t include Lorenzo’s PR, then it will be inconvenient for many partners.

  • Sage rc1 performance check

    • DD – Running this currently, I should have some numbers in the next few days.

    • JW – If we see a 5% or 10% error rate, then we’ll need to touch base with Simon when he’s back next week, and we’d likely not want to put rc1 out for benchmarking.

  • openforcefields resolution/single file installer check

    • DD – I tested this and it works!

  • Decision – We won’t do the release today. We will continue the release discussion next Wednesday at the normal benchmarking call.

Action items

Decisions