[gmx-developers] First GROMACS 2019 beta

Kutzner, Carsten ckutzne at gwdg.de
Mon Oct 22 18:35:23 CEST 2018

Hi Paul,

just tried it and found one issue:

2019 beta does not build with -DGMX_QMMM_PROGRAM=gaussian

QMMrec=fr->qr is an invalid use of incomplete type in qm_gaussian.cpp, line 435.

It does build without the gaussian interface, though.


> On 22. Oct 2018, at 17:12, Paul bauer <paul.bauer.q at gmail.com> wrote:
> Hi developers,
> As you've probably seen, we've made the first beta release of GROMACS 2019,
> which we plan to ship before the new year. Please do help us dogfood things
> by building the code on your local machines and trying out your favourite
> simulations - the core developers test a lot of things, but we need people
> to try things that are our outside of our brain space, too!
> We'll be making a TODO list for things we want to have done to test the
> code before we make the final release, so watch this space.
> There are now branches for release-2019 in both the source and
> regressiontest repositories. Those are open for general bug fixing
> and for cherry picking (minor) changes from master that didn't meet
> the release cut-off. If there's patches currently on master branch that should go into the 2019
> release, please cherry pick them across (e.g. using the nice button Gerrit
> provides). Jenkins has already been set up to verify commits to those repositories.
> Fixes made on release-2019 will show up in master branch via
> a merge commit in the usual way.
> We will make updated beta releases weekly based on whatever is currently on
> the HEAD of release-2019. If you want a bug fix to be in the next beta,
> please help organize to get the fix made and reviewed. The role of the
> release manager is to ship code that's in good shape, not to shepherd every
> known issue to be resolved before shipping.
> I'll ship the next beta on Nov 1, unless we decide there's something
> more important we want fixed and out there sooner!
> Release-2018 is also open for bug fixing, but effectively immediately it's
> moving to mode where we fix in that branch only bugs that a likely to lead
> to wrong science. The same is true for release-2016, where only absolutely
> critical fixes will now be admitted before a final patch version likely at the
> end of the year. The release-2018 branch will stay open for about a year for such
> fixes, and closed around the time of GROMACS 2020. Fixes in it will be
> appear in release-2019 branch via merges in the usual way.
> Technically master branch is now back open for general GROMACS work, but
> many of the key people will be fully occupied with testing and fixing for
> some weeks yet!
> Happy coding
> Paul Bauer
> GROMACS release manager
> -- 
> Gromacs Developers mailing list
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-developers_List before posting!
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-developers or send a mail to gmx-developers-request at gromacs.org.

Dr. Carsten Kutzner
Max Planck Institute for Biophysical Chemistry
Theoretical and Computational Biophysics
Am Fassberg 11, 37077 Goettingen, Germany
Tel. +49-551-2012313, Fax: +49-551-2012302

More information about the gromacs.org_gmx-developers mailing list