[gmx-developers] plans for GROMACS 2017 release cycle

[Alexey Shvetsov]

Hi!

I'd like to add python api for gromacs as a suggestion (however we need 
to fix it first to work with current changes for trajectoryanalysis)


Mark Abraham писал 09-03-2017 17:42:
> Hi,
> 
> It's time to start preparing for this year's release. Consistent with
> previous practice, we will have a soft deadline for work proposed for
> inclusion to have appeared in Gerrit in approximately final form, then
> we'll make a release candidate from the first patch on a new
> release-2017 branch. That branch will thereafter be open, in the usual
> way, for all manner of fixes, docs and tests, with patches expected to
> focus on stability, correctness and minimal disruption. Thereafter,
> from that branch, we might make a future release candidate, and at
> some point a final release.
> 
> For target dates I propose:
> * April 1 - proposals available in gerrit in approximately final form
> * May 1 - ship release candidate
> * May 15 - ship second release candidate if that seems useful
> * June 1 - ship 2017 final if there are no known serious problems
> 
> There's a fair bit of work currently in gerrit that is refactoring to
> suit long term needs. There's no strong reason to push to get such
> things in the release, but review and submission are welcome in the
> usual way. I do suggest that we avoid any further cleanup patches that
> touch lots of lines or lots of files until after the 2017 release, to
> make life easier on those preparing work for that release and merging
> fixes forward.
> 
> After we ship 2017, and have incorporated any bug fixes we want to
> back port, I will make a final 5.1 patch release and declare that
> branch closed to future work. Similarly, I'll make another 2016 patch
> release, and thereafter that branch will have the policy of being open
> only to fixes for things that might affect scientific results.
> 
> My focus will be on the integration of Aleksei's PME-on-GPU
> implementation, as well as several non-code GROMACS activities.
> 
> Erik hopes to rush out some new templated kernel infrastructure, but
> he has a grant application on April 6, so perhaps we will relax the
> April 1 cutoff for that - but based on history, there will be no
> promises either way ;-)
> 
> David's energy analysis framework is pretty close to good shape, so
> some final effort there would be a nice achievement.
> 
> Berk hopes to get in some more of his conserved quantities for
> integrators, and perhaps with Viveca some of the AWH implementation
> (that needs a lot of refactoring, however...)
> 
> Are there any other things people would like to flag for attention?
> Are there good reasons to suggest alternative dates?
> 
> Mark

-- 
Best Regards,
Alexey 'Alexxy' Shvetsov, PhD
Department of Molecular and Radiation Biophysics
FSBI Petersburg Nuclear Physics Institute, NRC Kurchatov Institute,
Leningrad region, Gatchina, Russia
mailto:alexxyum at gmail.com
mailto:alexxy at omrb.pnpi.spb.ru