[gmx-developers] Check for gromacs library using autotools

[Erik Lindahl]

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