2021-05-05 Wagner Mitchell Check in

Participants

  • @Josh Mitchell

  • @Jeffrey Wagner

Discussion topics

Item

Notes

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Notes

Follow ups

  • Examples package + deployer script

    • Do we need to merge this to do any testing?

    • No, this is chicken and egg, but we can do testing uncoupled to a release by pointing conda-forge at the branch

    • Done in code comments here https://github.com/conda-forge/openff-toolkit-feedstock/pull/9/#pullrequestreview-652847276 and verified that artifacts on Azure have the new branch contents.

    • JM can work on example-deployer script in this branch of the openFF toolkit:

  • Toolkit showcase example

    • (went through the whole thing, decided to replace use of ParmEd with OpenMMForcefields)

    • Extensive review, some notes taken on JM’s computer, other notes here:

  • JW still needs to get DockerHub credentials for docker image caching

 

 



 

Action items

Decisions

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