[gmx-users] Gromacs installation

[David van der Spoel]

On Thu, 2005-06-09 at 13:10 +0200, Xavier wrote:
> Dear gmx-users,
> I have some problems in the installation of gromacs, and particularly with
> FFWT. I use a HP workstation running under Linux RedHat Enterprise WS3
> (64bits).
> I installed 2 RPM files for FFTW (fftw-2.1.3-2.i386.rpm and
> fftw-devel-2.1.3-2.i386.rpm).
> I checked that files are located in /usr/local/include and libraries in
> /usr/local/lib.
> When I type ./configure, I obtain the following lines:
> .....
> checking for sqrt in -lm... yes
> checking for sfftw.h... yes
> checking for main in -lsfftw... no
> configure: error: Can't find a library to match the sfftw header
> 
> If I type the following commands before running ./configure:
> > export CPPFLAGS=-I/usr/local/include
> > export LDFLAGS=-L/usr/local/lib
> ... I always obtain the same error: "Can't find a library to match the sfftw
> header" Thanks in advance for your help.
> 
If you have a 64 bit OS then you'll have to install FFTW yourself
(please uninstall the RPMs first). 
> 
> 
> Xavier GALLET
> 
> 
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-- 
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://xray.bmc.uu.se/~spoel
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