[gmx-developers] Re: 4.6.1 soon!

[Berk Hess]

Hi,

I fully agree.
Since OpenMM is not fully supported 6.1.12 should be removed from the 
manual.
Are there any other issues with the manual you know of?

Cheers,

Berk

On 02/18/2013 02:18 PM, Justin Lemkul wrote:
>
> Hi All,
>
> I'm assuming fixes to the manual are being considered separately 
> then?  To me, we really shouldn't release 4.6.1 unless we have a 
> corresponding manual out at least within 24 hr of the code being made 
> public.  In my mind, released code necessitates a definitive manual, 
> and there have been questions on the user list related to the manual.  
> There are still some glaring inaccuracies and outdated information, 
> mostly in section 6.12 related to GPU usage (basically it needs to be 
> scrapped, since OpenMM isn't even fully supported any more) and 
> Appendix A. My patch related to environment variables 
> (https://gerrit.gromacs.org/#/c/2055/) is basically done since Szilard 
> finished off the last few items, but hasn't even been reviewed.
>
> -Justin
>
> On 2/18/13 8:07 AM, Mark Abraham wrote:
>> Hi GROMACS developers,
>>
>> There's a release branch constructed, containing a number of minor 
>> fixes,
>> documentation updates and a few remaining fixes of critical issues. 
>> Below is a
>> list of commits that are ancestors of the 4.6.1 release patch - 
>> please review
>> things that you know about!
>>
>> https://gerrit.gromacs.org/#q,I60998e3b,n,z New patch release 4.6.1
>> https://gerrit.gromacs.org/#q,I9a551260,n,z Update outdated admin things
>> https://gerrit.gromacs.org/#q,Iba5b4c66,n,z Fixes for install guide 
>> page.
>> https://gerrit.gromacs.org/#q,Ia0a571d2,n,z Updated install guide
>> https://gerrit.gromacs.org/#q,I33495d57,n,z Uncrustified code changes 
>> since 4.6
>> https://gerrit.gromacs.org/#q,If96fd044,n,z Bump shared object 
>> version to 8
>> https://gerrit.gromacs.org/#q,I79a06b20,n,z fixed issues with FEP 
>> soft-core and
>> cut-off's
>> https://gerrit.gromacs.org/#q,Ib90ac4e5,n,z Merge release-4-5-patches 
>> into
>> release-4-6
>> https://gerrit.gromacs.org/#q,I146592c3,n,z fixed GPU particle gridding
>> performance issue
>> https://gerrit.gromacs.org/#q,I268bbf65,n,z Made g_tune_pme work with 
>> 4.6 if
>> user sets "-p" command line option
>> https://gerrit.gromacs.org/#q,I79fd46e1,n,z Fix CMake namespace 
>> pollution
>> https://gerrit.gromacs.org/#q,I3c37844c,n,z Issue errors/warnings for 
>> ICC before
>> 12.0.0
>> https://gerrit.gromacs.org/#q,Ia6157db8,n,z bugfix for md-vv + 
>> nose-hoover +
>> (nstcalcenergy > nsttcouple)
>> https://gerrit.gromacs.org/#q,Ia071c6a1,n,z Use explicit kernel 
>> pointer typecasts
>>
>> Mark
>>
>> On Tue, Feb 12, 2013 at 9:15 PM, Mark Abraham <mark.j.abraham at gmail.com
>> <mailto:mark.j.abraham at gmail.com>> wrote:
>>
>>     Hi GROMACS developers,
>>
>>     We've made a number of bug fixes to 4.6, and it's time we got 
>> those out to
>>     the world in 4.6.1. There's a few bits and pieces still sitting 
>> in gerrit,
>>     so please see what you can get done. I'll plan to construct a 
>> release branch
>>     on Friday and release Monday Feb 17.
>>
>>     Cheers,
>>
>>     Mark
>>
>>
>>
>>
>