[gmx-developers] Re: 4.6.1 soon!

[Mark Abraham]

On Mon, Feb 18, 2013 at 2:18 PM, Justin Lemkul <jalemkul at vt.edu> 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 glaring inaccuracies and outdated information, mostly in section 6.12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/<https://gerrit.gromacs.org/#/c/2055/>)
> is basically done since Szilard finished off the last few items, but hasn't
> even been reviewed.
>

I'd certainly like an up-to-date manual to go with code releases. :-)
There's a lot of things I have to juggle doing, unfortunately. I'll look at
manual issues tomorrow.

Mark


>
> -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<https://gerrit.gromacs.org/#q,I60998e3b,n,z>New patch release 4.6.1
>> https://gerrit.gromacs.org/#q,**I9a551260,n,z<https://gerrit.gromacs.org/#q,I9a551260,n,z>Update outdated admin things
>> https://gerrit.gromacs.org/#q,**Iba5b4c66,n,z<https://gerrit.gromacs.org/#q,Iba5b4c66,n,z>Fixes for install guide page.
>> https://gerrit.gromacs.org/#q,**Ia0a571d2,n,z<https://gerrit.gromacs.org/#q,Ia0a571d2,n,z>Updated install guide
>> https://gerrit.gromacs.org/#q,**I33495d57,n,z<https://gerrit.gromacs.org/#q,I33495d57,n,z>Uncrustified code changes since 4.6
>> https://gerrit.gromacs.org/#q,**If96fd044,n,z<https://gerrit.gromacs.org/#q,If96fd044,n,z>Bump shared object version to 8
>> https://gerrit.gromacs.org/#q,**I79a06b20,n,z<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<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<https://gerrit.gromacs.org/#q,I146592c3,n,z>fixed GPU particle gridding
>> performance issue
>> https://gerrit.gromacs.org/#q,**I268bbf65,n,z<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<https://gerrit.gromacs.org/#q,I79fd46e1,n,z>Fix CMake namespace pollution
>> https://gerrit.gromacs.org/#q,**I3c37844c,n,z<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<https://gerrit.gromacs.org/#q,Ia6157db8,n,z>bugfix for md-vv + nose-hoover +
>> (nstcalcenergy > nsttcouple)
>> https://gerrit.gromacs.org/#q,**Ia071c6a1,n,z<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 <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<http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin>
>
> ==============================**==========
>
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