[gmx-developers] Re: 4.6.1 soon!

[Christoph Junghans]

2013/2/18 Berk Hess <hess at kth.se>:
> Hi,
>
> I fully agree.
> Since OpenMM is not fully supported 6.1.12 should be removed from the
> manual.
Apropos OpenMM, currently there are some directory offsets wrong in
the build system, which make it practically impossible to enable the
OpenMM support:
<https://gerrit.gromacs.org/#/c/2087/>
A fix should go into 4.6.1. The above change set is not complete yet
as some CMAKE_CXX variables are missing.

Cheers,

Christoph


> 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 glaring inaccuracies and outdated information, mostly in section 6.12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 https://gerrit.gromacs.org/#q,I9a551260,n,z Update outdated admin things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
>>>
>>>
>>>
>>>
>>
>
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--
Christoph Junghans
Web: http://www.compphys.de