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Follow ups

• Examples package + deployer script

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

    Github link macro
    link https://github.com/conda-forge/openff-toolkit-feedstock/pull/9

  • 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:

    Github link macro
    link https://github.com/openforcefield/openff-toolkit/tree/examples_helper

• 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:

    Github link macro
    link https://github.com/openforcefield/openff-toolkit/pull/763#issuecomment-833145663

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