[gmx-developers] 5.0-rc1 released

Mark Abraham mark.j.abraham at gmail.com
Mon Apr 7 18:52:53 CEST 2014

Hi devs,

Many thanks for all the hard work - I've finally made the release candidate
for 5.0, along with a new release-5-0 branch on gerrit.

>From here, the expectation is that that branch has "no new features." We
will be much more hard-nosed about that than in the past, for stability and
so our limited developer time can focus on the future rather than the past.
Patches for release-5.0 can only
* fix broken things (with a reasonable minimum of refactoring to make that
possible, as applicable), or
* come from a merge from release-4-6 (which has the same policy), or
* add missing or incomplete documentation, or
* add missing tests (provided they do not compromise existing tests or
production code).

5.0 and 5.0.x releases will be made from release-5-0 branch from both
gromacs.git and regressiontests.git. There are some patches currently in
gerrit that we will cherry pick to release-5-0 branch, of course. I'm still
working out how to get Jenkins testing to work on the new branches.

I have plans in the next few weeks to work on improved form and content for
some kinds of documentation (e.g. http://redmine.gromacs.org/issues/1242),
including an install guide, user guide and developer guide that will
re-organize and add to what we already have.

I'll also be running some tests that we haven't made major regressions in
simulation performance, and working on automating that for the future.
Perhaps some non-trivial tests for correctness can be combined in here.

There are some outstanding question marks about the correctness of some
kinds of modified non-bonded interaction types in release-4-6, particularly
with regard to free-energy calculations, which we hope to sort out before a
final 4.6.6 release around the time of the 5.0 release.

Happy coding!

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