[gmx-developers] Plans for GROMACS 2016 release

Schulz, Roland roland.schulz at intel.com
Mon May 23 23:19:44 CEST 2016

BTW: The beta isn't linked from the download page. Is this intentional?


From: gromacs.org_gmx-developers-bounces at maillist.sys.kth.se [mailto:gromacs.org_gmx-developers-bounces at maillist.sys.kth.se] On Behalf Of Erik Lindahl
Sent: Monday, May 23, 2016 2:12 PM
To: gmx-developers at gromacs.org
Subject: Re: [gmx-developers] Plans for GROMACS 2016 release

PS: When it comes to beta testing, it's a good idea to pull directly from gerrit or git, since that will always be more up-to-date than a fixed release tarball.



On 23 May 2016, at 23:10, Erik Lindahl <erik.lindahl at gmail.com<mailto:erik.lindahl at gmail.com>> wrote:

I would suggest that we just put out an updated beta tarball at the end of each week.

There are a couple of additional bugs (e.g. 1958) that it would be good to include fixes for there, since we might have to change things in the verlet kernels (and then we want it carefully tested).



On 23 May 2016, at 22:57, Berk Hess <hess at kth.se<mailto:hess at kth.se>> wrote:


The current beta contains a serious bug in the v-rescale thermostat, which renders it nearly useless. I think second beta might be good.



On 05/23/2016 10:55 PM, Schulz, Roland wrote:

What's the plan for the release? Just one beta (and no RC) and then release? One month (Jun12th) of beta?

From: gromacs.org_gmx-developers-bounces at maillist.sys.kth.se<mailto:gromacs.org_gmx-developers-bounces at maillist.sys.kth.se> [mailto:gromacs.org_gmx-developers-bounces at maillist.sys.kth.se] On Behalf Of Mark Abraham
Sent: Wednesday, May 4, 2016 6:23 AM
To: Discussion list for GROMACS development <gmx-developers at gromacs.org><mailto:gmx-developers at gromacs.org>
Subject: Re: [gmx-developers] Plans for GROMACS 2016 release


Apologies for my delays here - many tasks have come up in the last 2 months that have needed lots of my time and focus. I'll have time to do the beta release on Monday May 9. Last drinks in gerrit!


On Thu, Feb 4, 2016 at 12:13 PM Mark Abraham <mark.j.abraham at gmail.com<mailto:mark.j.abraham at gmail.com>> wrote:
Hi devs,

I propose a much lower-key release cycle than we have had in the past. It has dragged out too long and been too stressful for all involved :-)

On April 1, I'll fool you all and roll a release candidate from master branch HEAD, and branch release-2016 immediately. If stuff isn't merged yet, then it isn't. The one thing that can't get me fired is releasing quality code at a predictable time, and the fewer things we submit to master branch, the easier it is for me to do that job! ;-) If you need/want some code in the release, then it needs to be in Gerrit with Doxygen, user docs and test cases... real soon now! And get your reviewers interested in advance, because they're all super busy people. :-)

Then May 1, when the worst of the known issues are handled, I'll release GROMACS 2016. That'll then give us ~6 weeks before Swedes disappear on summer holidays if we need to do 2016.1 release then.

Our long beta phases for 4.6, 5.0 and 5.1 haven't been terribly effective at finding development bugs (e.g. I broke multi-rank-per-simulation replica exchange before 5.1, and nobody noticed until the code had been out for several months; there's various other such examples). Instead, I'll use that month to prioritise the kind of exhaustive testing that has been too onerous for me to contemplate doing after a multi-month beta phase. Hopefully some of my new testing infrastructure can be reviewed and integrated by then, to make that easier.

I am planning to do a GROMACS 2016 paper, and those of you who've been working actively and regularly on the wider code base will be most welcome to help write that!

Happy coding and reviewing!


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