[gmx-developers] Re: [gmx-users] GROMACS 4.6.1 released

Roland Schulz roland at utk.edu
Tue Mar 5 21:09:27 CET 2013


On Tue, Mar 5, 2013 at 3:03 PM, Mark Abraham <mark.j.abraham at gmail.com>wrote:

>
>
> On Tue, Mar 5, 2013 at 8:54 PM, Roland Schulz <roland at utk.edu> wrote:
>
>>
>>  On Tue, Mar 5, 2013 at 2:46 PM, Mark Abraham <mark.j.abraham at gmail.com>wrote:
>>
>>> I'm not sure it could have been made to match. The tree I rebased up on
>>> Friday got made out of date by someone rebasing and merging at the base of
>>> it two hours before my email. Maybe I could still just have done a merge
>>> commit after the version bump commit and then the tag would match the
>>> tarball. This release has taken about 10 hours just today - I just don't
>>> care about minor things any more :-)
>>>
>>  Well I think having a correct tag is important. And it doesn't have to
>> be a commit on the branch (but it is better). Given that I assume we don't
>> want to change the TGZ anymore, we should update the tag. I can do that if
>> you want me to.
>>
>
>  The SHA corresponding to the tarball is not on the release-4-6 branch.
> So it depends whether a tag not on the branch or a tag on a
> not-quite-matching SHA is the lesser evil. And AFAIK git.gromacs.org will
> never know about that SHA.
>
I think it is better to have a correct tag, even if it is not on the
branch. Email is to gmx-developers so that others can voice their opinion.
git.gromacs.org has all commits up for review (refs/for/...) too. So it
does have the correct SHA.

The difference between the tag and the TGZ is:
> Warn if X11 was not found and the user wanted it
> Declaration-definition consistency nbxn_cuda_wait_gpu.
> fix imcompatibility with tpr vers<64 with free energy option

Roland


>
>  Mark
>
>     In future, there will be no release mini-branches. There will be one
>>> admin patch made on the HEAD at a stated time, and that is all!
>>>
>>  I agree that this is a better approach.
>>
>>  Roland
>>
>>
>>>
>>>  Mark
>>>
>>>
>>> On Tue, Mar 5, 2013 at 8:36 PM, Roland Schulz <roland at utk.edu> wrote:
>>>
>>>> Hi Mark,
>>>>
>>>> also the tag v4.6.1 doesn't match the TGZ. You put in the TGZ
>>>> f397b06968dc5d7 (2174/9) not 1825c88d44f9 (2174/10).
>>>> They differ by:
>>>>  > Warn if X11 was not found and the user wanted it
>>>> > Declaration-definition consistency nbxn_cuda_wait_gpu.
>>>> > fix imcompatibility with tpr vers<64 with free energy option
>>>>
>>>> Roland
>>>>
>>>>
>>>>  On Tue, Mar 5, 2013 at 2:30 PM, Roland Schulz <roland at utk.edu> wrote:
>>>>
>>>>>
>>>>>
>>>>>
>>>>>  On Tue, Mar 5, 2013 at 2:14 PM, Mark Abraham <
>>>>> mark.j.abraham at gmail.com> wrote:
>>>>>
>>>>>> *Hi GROMACS users,
>>>>>>
>>>>>> GROMACS 4.6.1 is officially released. It contains numerous bug fixes,
>>>>>> some
>>>>>> simulation performance enhancements and some documentation updates. We
>>>>>> encourage all users to upgrade their installations from 4.6.
>>>>>>
>>>>>> You can find the code, manual, release notes, installation
>>>>>> instructions and
>>>>>> test
>>>>>> suite at the links below.
>>>>>>
>>>>>> ftp://ftp.gromacs.org/pub/gromacs/gromacs-4.6.1.tar.gz
>>>>>
>>>>>  the download doesn't work. According to
>>>>> ftp://ftp.gromacs.org/pub/gromacs/ the file is 0 size (and one with
>>>>> dash exists).
>>>>>
>>>>>  Roland
>>>>>
>>>>>
>>>>>>
>>>>>> ftp://ftp.gromacs.org/pub/manual/manual-4.6.1.pdf
>>>>>> http://www.gromacs.org/About_Gromacs/Release_Notes/Versions_4.6.1.x
>>>>>> http://www.gromacs.org/Documentation/Installation_Instructions
>>>>>> http://gromacs.googlecode.com/files/regressiontests-4.6.1.tar.gz
>>>>>>
>>>>>> Happy simulating!
>>>>>>
>>>>>> The GROMACS development team*
>>>>>> --
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>>>>>> http://lists.gromacs.org/mailman/listinfo/gmx-users
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>>>>>>
>>>>>>
>>>>>>
>>>>>>
>>>>>>
>>>>>
>>>>>
>>>>>  --
>>>>> ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
>>>>> 865-241-1537, ORNL PO BOX 2008 MS6309
>>>>>
>>>>
>>>>
>>>>
>>>>  --
>>>> ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
>>>> 865-241-1537, ORNL PO BOX 2008 MS6309
>>>>
>>>
>>>
>>
>>
>>  --
>> ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
>> 865-241-1537, ORNL PO BOX 2008 MS6309
>>
>
>


-- 
ORNL/UT Center for Molecular Biophysics cmb.ornl.gov
865-241-1537, ORNL PO BOX 2008 MS6309
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