[gmx-developers] gsl

[Jason de Joannis]

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

> -- 
> 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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-- 
\ Jason de Joannis  \
\ Emory University  \
  \ jdejoan at emory.edu \
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