February 21, biweekly GROMACS developer meeting

Developers discussions
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.