2020-04-20 Core Devs

Owned by Jeffrey Wagner
Last updated: Apr 20, 2020
2 min read

Agenda

Round table updates

 

Roadmap/Issue tracker review

  1. Elect new tasks

    1. Guide/example for making new parameterhandler / 8

    2. Review new AmberTools RC / 3 – JW

    3. CHARMM-GUI integration – (debug parmed converting to CHARMM issue / 13

    4. Blog post about file formats and move to SDF / 8 doing, / 3 or 5 for reviewing

    5. Coordinate discussion at best practices session – Git commit practices, branch merging (squash vs. not?) practices, gitmoji, PR etiquette, how to apply bugfixes from master on top of last commit. / 3 – JW

    6. Have FFs know which XML(s) they were loaded from / #477 / 5 implement / 2 review - DD/MT

    7. Review Simon’s plotting PR – / 3

    8. Attend best practices workshop / 8 – All

    9. Pick up release testing PR / 5

  2. Review previous tasks

    1. Miniconda updates – Done

    2. DDoS URL protection – Done

    3. Review QCEngine PR – 3 – DD

    4. JW – Chargeincrement PR / 21 – 5 spent, unblocked on major design issue – Remains @ 13

    5. DD – #379 / 3 – Done

    6. DD – #381 / 3 – Done

    7. DD – Opened #226, replacing internal attribute with attrs – Assignment remains, not urgent, looking at evaluator 0.2.0 release (a month or two out) / 13

    8. DD – Torsion WBOs / 21 – Some work, assignment remains

    9. 1.0.1 and 1.1.1 cutting + OFFTK SFI rebuild / 3 – JW + DD – Done

    10. Provide feedback to DD on #381 / 2 – JW – MT did instead

    11. Issue triage – 5 – JW – Incomplete, assignment moved to MT, with JW as secondary

  3. Ongoing tasks (effort this week)

    1. MT (primary) DD (secondary) QCA OpenMM energy evaluation / 21

    2. MT – System design / 21

    3. JW – Cerutti support / 3

    4. JW – QCFractal management / 13

    5. DD – QCArchive onboarding / 5

    6. JW – Organizational meetings / 5

    7. DD (primary), MT (secondary). Start on knowledge transfer for OpenFF Evaluator handover / 21 / 0

  4. Measure capacity

    1. JW – 42

    2. MT – 47

    3. DD – 58

  5. Review open OFFTK PRs

    1. Review visualization PR / 2 – DD

  6. Assign new tasks

    1. “Prototype run” of whole benchmarking backend+frontend, with limited data / 8 – MT

    2. Review new AmberTools RC / 3 – JW

    3. Coordinate discussion at best practices session – Git commit practices, branch merging (squash vs. not?) practices, gitmoji, PR etiquette, how to apply bugfixes from master on top of last commit. / 3 – JW

    4. Have FFs know which XML(s) they were loaded from / #477 / 5 implement – DD / 2 review – MT

    5. Review Simon’s plotting PR – / 3 – DD

  7. Measure capacity

    1. JW – 48

    2. MT – 57

    3. DD – 65