[gmx-developers] Dependence on libxml2

Berk Hess hessb at mpip-mainz.mpg.de
Wed Sep 17 09:08:09 CEST 2008


Hi,

But in Gromacs 4 xml is no longer used, is it?
But I think xml still has to be removed from the configure script.

Berk

David van der Spoel wrote:
> Roland Schulz wrote:
>> Hi,
>>
>> also on cross compile clusters (Cray, Bluegene), libxml(2) is not 
>> installed on the Compute-Node but only on the frontend. Since having 
>> to cross compile another library is a pain, it would be great if 
>> mdrun could be compiled without libxml(2).
>
> Interesting challenge indeed. I guess what we have to do is to 
> minimize the interdependencies between the code. That is, mdrun should 
> not depend on the entire gmxlib.
>
>
>>
>> Roland
>>
>> On Mon, Sep 8, 2008 at 4:18 AM, Marc F. Lensink 
>> <lensink at bigre.ulb.ac.be <mailto:lensink at bigre.ulb.ac.be>> wrote:
>>
>>     On Sat, Sep 06, 2008 at 02:07:42PM +0200, David van der Spoel wrote:
>>      > Hi,
>>      >
>>      > the inclusion of the xml library is currently limited to stuff 
>> in the
>>      > contrib directory. However we have discussed on many occasions
>>     which xml
>>      > library to use if we were going to make the move. The de-facto
>>     standard
>>      > in the linux world is libxml2 (foundation of the gnome project).
>>     Are you
>>      > aware of any platform where this wouldn't work?
>>      >
>>      > Do you see any other obvious drawbacks?
>>
>>     libxml2 is the way to go.  however, some clusters may have been
>>     installed with older linux distributions, eg of the SL 3 series.
>>     ancient, but stable.  in those cases libxml2 can still be installed,
>>     but only manually and its functionality is limited.  one of the 
>> issues
>>     I recall is problems with namespace support.
>>
>>     cheers,
>>     marc
>>
>>
>>     --
>>     Marc F. Lensink
>>     Centre for Structural Biology and Bioinformatics          CSBB
>>     Université Libre de Bruxelles           marc.lensink at ulb.ac.be
>>     <mailto:marc.lensink at ulb.ac.be>
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>>
>>
>>
>> -- 
>> ORNL/UT Center for Molecular Biophysics cmb.ornl.gov 
>> <http://cmb.ornl.gov>
>>
>>
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