[gmx-developers] next Gromacs release

[Christoph Junghans]

>> We can contribute a patch, if you like.
>>
> This sounds good, thanks!
Here is the patch, use 'git am' to apply it.
I removed statusio.h as it is used nowhere in the code and sheader.h, 
which is include in this file, is missing anyway.

>> 2.) pkg-config files
>> see: <http://bugzilla.gromacs.org/show_bug.cgi?id=370>
>>
>> As gromacs creates a static libgmx by default (btw why?), it is quite
>> difficult to find out, which flags to use later to link (-lfftw3
>> and/or -lxml2 and/or -lgsl and/or -lX11 ....), that is what pkg-config
>> is usually for. I am willing to improve the patch from bug #370, but
>> for that I need to know if the build system will be autotools or cmake.
>>
> The build system in the future will be only cmake, and 4.5 will be the
> last one to support autotools.
>
> Actually, it could be abandoned even for this release, is there any
> particular reason to have it still around? It only doubles the work.
"cmake or not cmake" that is the question!

Why are the shared libs disabled by default?

Christoph

>
> Rossen
>>
>> To understand our problem in detail, please take a look at our very
>> complicated libgmx detection routine:
>>
>> <http://code.google.com/p/votca/source/browse/config/ax_gromacs.m4?repo=csg>
>>
>>
>> Cheers,
>>
>> Christoph
>>
>> Am 02.06.2010 23:24, schrieb Rossen Apostolov:
>>> To all developers,
>>>
>>> The new release of Gromacs is coming close. Before releasing the new
>>> packages though, in the next couple of weeks until June 15:
>>>
>>> * everything in bugzilla should be cleared (David already started
>>> exterminating :). If you see a bug that you can fix or help with, please
>>> do so.
>>> * if there are still any known issues, please file a bug asap or send a
>>> patch.
>>> * do not add any new features! Berk has some AmberFF stuff but apart
>>> from that everything new should wait for the next release
>>> * make sure that everything compiles without warnings on all platforms
>>> that you have access to
>>>
>>> Hopefully all that will be done by the 15th and have a bug-free summer:)
>>>
>>> Cheers,
>>> Rossen
>>
>

-- 
Dipl.-Phys. Christoph Junghans
Max Planck Institute for Polymer Research
Theory Group
POBox 3148
D 55021 Mainz, Germany

Phone: +49 6131 379 335
Web: http://www.mpip-mainz.mpg.de/~junghans

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