February 21, biweekly GROMACS developer meeting

Developers discussions
1

Dear GROMACS developers,

Our next biweekly developer meeting will take place on 2024-02-21T16:00:00Z! At the moment, we have three open slots, so if there’s anything you wish to discuss please comment below (or let me or Berk know)!

Berk/Magnus: general issues and news from Stockholm
Tye Gonzalez: Hydrogen naming conventions
Open slot
Open slot

Join our Zoom Meeting (magic link)

Meeting ID: 692 7708 9234
Password: gmxdevs

Join by SIP:
69277089234@zoom.nordu.net

See you all next week!

2

Just a reminder that our next biweekly GROMACS developer meeting will take place at 5 pm (Stockholm time) today! We still have two open slots so please let us know if there’s anything you wish to discuss!

See you this afternoon!

3

Notes from the meeting. Feel free to point out mistakes or if I missed something important.

  • Updates from Stockholm

    • Quarterly planning meeting in two weeks. More information, such as Zoom link and topic document will be posted. Zoom link on Slack and in the Developers forum, whereas the document will only be posted on Slack.
    • 2024.1 is scheduled to be released next week.
    • A proposed time table for the 2024 point releases has been posted to Roadmap for 2024 patch releases.

  • Tye presented the problems with methylene hydrogens not named according to IUPAC nomenclature.

    • He presented his plans for adding an --iupac option to pdb2gmx
    • He will post an MR to gitlab.

  • Alessandra presented her plans for updates to the GROMACS webpage.

  • Alessandra mentioned the plans for a remote “learn-to-code in GROMACS” workshop.

  • Vedran pointed out that he had noticed many test failures on MS Visual studio 2022.

  • Vedran also brought up his next C+±20 MR and wondered how to test it well enough.