[gmx-developers] Check for gromacs library using autotools

[Victor Rühle]

Hi Erik,

thanks for your help, while experimenting with the checks I had another 
problem:

If you check for a gromacs header gromacs/xxx.h, you assume that you 
specify -I$GMXPATH/include. However, if I use it like that in a program, 
it produces an error cause in typedefs.h, all the gromacs specific files 
are include using #include <xxx.h>, so one has to specify 
-I$GMXPATH/include/gromacs instead of -I$GMXPATH/include. In the other 
gromacs headers, the includes are done with #include "xxx.h", so only 
typedefs.h causes these problems.

Maybe I'm doing something wrong, but since all the gromacs headers are 
always installed in subdirectory $prefix/include/gromacs, wouldn't it be 
more convenient to use "" or is there a reason to use <> for the 
includes in typedefs.h? Also using direclty -I.../gromacs might lead to 
problems since the gromacs headers have quite common names (e.g. vec.h, 
...) what might lead to conflicts.

Cheers,
Victor

Erik Lindahl wrote:
> Hi Victor,
> 
> Unfortunately not pre-packaged, but what you could do is:
> 
> 1) Check if libgmx is present with
> 
> AC_CHECK_LIB(libgmx,GromacsVersion,,AC_MSG_ERROR([Gromacs library not 
> found])
> 
> 2) Search for the headers, e.g.
> 
> AC_CHECK_HEADERS([gromacs/copyrite.h])
> 
> 3) According to the autotools modus operandi you should check 
> functionality rather than versions, but if you absolutely need it you could
> write a small test script that includes the header copyrite.h and 
> executes GromacsVersion() to return the version as a string. That won't 
> work
> for cross-compiles, though - then you'd have to use "strings" to extract 
> strings from the binary and grep for "VERSION".
> 
> Cheers,
> 
> Erik
> 
> On Jun 19, 2008, at 5:03 PM, Victor Rühle wrote:
> 
>> Hi,
>>
>> since I use the libgmx in one of my projects, I'm wondering weather 
>> anyone already has a m4 script to check weather/which version of 
>> gromacs is installed.
>>
>> Thanks for your help,
>>
>> Victor
>> _______________________________________________
>> gmx-developers mailing list
>> gmx-developers at gromacs.org
>> http://www.gromacs.org/mailman/listinfo/gmx-developers
>> Please don't post (un)subscribe requests to the list. Use the www 
>> interface or send it to gmx-developers-request at gromacs.org.
> 
> ------------
> Erik Lindahl   <lindahl at cbr.su.se>  Backup: <erik.lindahl at gmail.com>
> Associate Professor, Computational Structural Biology
> Center for Biomembrane Research, Dept. Biochemistry & Biophysics
> Stockholm University, SE-106 91 Stockholm, Sweden
> Tel: +46(0)8164675  Mobile: +46(0)704218767  Fax: mail a PDF instead
> 
> 
> 
> 
> 
> _______________________________________________
> gmx-developers mailing list
> gmx-developers at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-developers
> Please don't post (un)subscribe requests to the list. Use the
> www interface or send it to gmx-developers-request at gromacs.org.
> 
> This email was Anti Virus checked by Astaro Security Gateway. 
> http://www.astaro.com
>