[gmx-users] FFTW libraries

[Dr Seth Carlton OLSEN]

Hi Gromacs Users,
I am trying to install GROMACS on in Intel Pentium 4 machine running Fedora Core 2 Linux.  When I unpack the rpm, I get the following complaint regarding FFTW dependencies:

error: Failed dependencies:
        libsfftw.so.2 is needed by gromacs-3.2.1-1
        libsrfftw.so.2 is needed by gromacs-3.2.1-1

Upon checking in /usr/lib, I find the following FFTW related libraries:

/usr/lib/libfftw.so.2              /usr/lib/librfftw.so.2
/usr/lib/libfftw.so.2.0.7          /usr/lib/librfftw.so.2.0.7
/usr/lib/libfftw_threads.so.2      /usr/lib/librfftw_threads.so.2
/usr/lib/libfftw_threads.so.2.0.7  /usr/lib/librfftw_threads.so.2.0.7

I'm not sure what to do at this point (new Fedora user), but my instinct is to make the following links in /usr/lib:

/usr/lib/libfftw.so.2 --> libsfftw.so.2
/usr/lib/librfftw.so.2 --> libsrfftw.so.2

I expect I will try this, and post to the list whether or not it works.  However, if anyone who reads this knows another, cleaner way of circumventing the problem, I would appreciate the knowledge.  Thanks!

Cheers,
Seth



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Dr Seth Olsen, PhD
Postdoctoral Fellow, Computational Systems Biolgy Group
Centre for Computational Molecular Science
Chemistry Building,
The University of Queensland
Qld 4072, Brisbane, Australia

tel (617) 33653732
fax (617) 33654623
email: s.olsen1 at uq.edu.au
Web: www.ccms.uq.edu.au 

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