[gmx-developers] Re: 4.6.1 soon!

[Justin Lemkul]

On 2/18/13 8:47 AM, Berk Hess wrote:
> 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?
>

I filed two tasks on Redmine some time ago, so there may be a few assorted things:

http://redmine.gromacs.org/issues/1069
http://redmine.gromacs.org/issues/1070

#1070 corresponds to manual 6.12 for the most part, and I think there are a few 
assorted things in Appendix A that need removal or modification.  My patch on 
Gerrit addresses part of #1069.

-Justin

> 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 outdated information, mostly in section 6.12 related to GPU usage (basically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 https://gerrit.gromacs.org/#q,I9a551260,n,z Update outdated admin things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
>>>
>>>
>>>
>>>
>>
>

-- 
========================================

Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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