[gmx-developers] gsl

[David van der Spoel]

Jason de Joannis wrote:
> Quoting David van der Spoel <spoel at xray.bmc.uu.se>:
> 
>> Jason de Joannis wrote:
>>>
>>> Are you sure? My gsl (v1.9) is located in /usr/local/lib. I ran 
>>> configure with --with-gsl. The output of make does not include the 
>>> -lgsl or -lgslcblas flags and it gives an error:
>>>
>>>  undefined reference to `gsl_rng_env_setup'
>>>
>>> I am not so knowledgable about inner workings of the auto-tools, so I 
>>> appreciate the help. I did not find gmx_kinetics in my gromacs 3.3.1. 
>>> There is a reference to this function in one of the header files though.
>>>
>>> Perhaps I have to add certain environment variables to the configure 
>>> arguments...
>>>
>>> /Jason
>>>
>> Hm, you could be right. In that case you should try the CVS 3.3 
>> version instead.
>>
> I just tried it and the same error occurs. Although now I do see a 
> gmx_kinetics file, which produces the following:
> -------------------------------------------------------
> Program GROMACS, VERSION 3.3.99_development_20070215
> Source code file: gmx_kinetics.c, line: 889
> 
> Fatal error:
> This program should be compiled with the GNU scientific library. Please 
> install the library and reinstall GROMACS.
> -------------------------------------------------------
> 
> My GSL does work out of a simple 'hello world' program when compiled 
> with -lgsl -lgslcblas and either -static or LD_LIBRARY_PATH=/usr/local/lib.
> 
> /Jason
> 
How about the include files?
What does configure say? It should let you know whether or not gsl was 
found.



-- 
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://folding.bmc.uu.se
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