2020-07-17 QCA Submission Meeting notes

Owned by David Dotson
Last updated: Jul 18, 2020
1 min read

Date

Jul 17, 2020

Participants

  • @David Dotson

  • @Joshua Horton

  • Benjamin Pritchard

Goals

  • Status updates:

    • Josh Horton

    • Ben Pritchard

    • David Dotson

  • Submission working session for Rowley Biaryl TorsionDrive Dataset

Discussion topics

Item

Presenter

Notes

Item

Presenter

Notes

Status

Josh

  • QCSubmit validation automation

    • should be good to go with Biaryl submission

Status

Ben

  • Attention elsewhere at the moment

    • @David Dotson should make a new PR for psi4 version pinning in prod conda envs

  • Switching on auth layer on QCArchive that was disabled

    • shouldn’t break anything if we’re already providing credentials

Status

David

  • Working on the lifecycle components

    • Will work with @Joshua Horton today to get submission components in place

Rowley Biaryl TorsionDrive Dataset

Josh/David

Worked together to get QCSubmit components in place in lifecycle for dataset submission; didn’t get these in place prior to running out of time paired up. Will hit the submit button early next week with eyes on it for issues, improvements.

Action items

Decisions