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Meeting ID: 696 6165 4037
Password: gmxdevs
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Meeting ID: 696 6165 4037
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Just a reminder that our next developer meeting will take place tomorrow at 17:00 (Stockholm time)! We still have several open slots in the agenda, so please let us know if you have something to discuss!
Can we discuss setting timeline for providing “public” API (more precisely, making current API public)?
e.g. IForceProvider, commandline modules.
As a personal experience, I had a reported issue on gitlab issuetracker (here) that was assigned to %2022.5, then closed for inactivity. However, %2022.5 was released without it, most probably because it was closed already.
Happy to defer to Berk here–I agree no timeline guarantee. But it would be worth doing some requirements gathering and then getting the back-end developers working on this together to coordinate.
Note, though, that the issue 4662 was about command line entry points, which are a very different topic. Maybe someone can correct me, but to my knowledge there are no near-term plans to update this facet of the software—that is, to (1) reexpress the command line entry points with API-friendly and maintainable patterns, and (2) export such an API with the installed package. You might be able to do what you need with the installed gmxapi headers. But if you need to interact with the grompp pipeline, MDP parameters, other traditional input files, or the command line option processing machinery, you will have to fork the repo, borrow headers, patch the build tree to add your own command line entry point, or submit source code updates.
