...
- Joshua Horton will work to add a
validation.ymlGithub Actions workflow toqca-dataset-submission. David Dotson will assist next week. - Trevor Gokey will work with Joshua Horton to build out validators for the Initial Protein dataset v1.0 #109.
- Ben Pritchard will add an account for dataset submission for Trevor Gokey,
openff-botto public QCArchive. - Ben Pritchard will ask Lori Burns if a new psi4 release can be made (last one is a year old), or if a dev release is a safe bet (though not preferred)
- Ben Pritchard will continue to root cause and develop remediation pathway for INCOMPLETE tasks
- Ben Pritchard will push toward a new QCFractal release
- Ben Pritchard will work to add a conda package for basis-set-exchange (needed for QCSubmit)
- David Dotson will work with Ben on clearing the above tasks
...