2020-04-20 Core Devs

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

   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 etiquitte, how to apply bugfixes from master on top of last commit. / 3

   6. Review visualization PR / 2

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

   8. Review Simon’s plotting PR – / 3

2. Review previous tasks

   1. Miniconda updates – Done

   2. DDoS URL protection – Done

   3. JW – Cerutti support / 3 – Complete, 0 hours used, no contact

   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. MT (primary) DD (secondary) QCA OpenMM energy evaluation – Ongoing / 50 – Assignment remains

      1. Review QCEngine PR – 3 – DD

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

   8. DD (primary), MT (secondary). Start on knowledge transfer for OpenFF Evaluator handover / 21 / 0 – Opened #226, replacing internal attribute with attrs – Assignment remains, not urgent, looking at evaluator 0.2.0 release (a month or two out)

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

   10. 1.0.1 and 1.1.1 cutting + OFFTK SFI rebuild / 3 – JW + DD – Done

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

   12. Issue triage – 5 – JW – Incomplete, assignment remains

3. Measure capacity

   1. JW – 21

   2. MT –

   3. DD –

4. Review open OFFTK PRs

5. Assign new tasks

6. Measure capacity

   1. JW –

   2. MT –

   3. DD –