[gmx-users] installation problem

Jose Tusell jrta1981 at gmail.com
Tue Jan 24 22:16:02 CET 2012


Hi All,

I've installed fftw-3.3 on my computer when I try to install GROMACS I run
into problems.

A little information:

Here are the values for LDFLAGS and CPPFLAGS

echo $LDFLAGS
-L/home/ramone/mygromacs/lib

The content of this directory is the following:

libfftw3f.a  libfftw3f.la*  pkgconfig/

 echo $CPPFLAGS
-I/home/ramone/mygromacs/include

The content of this directory is the following:

fftw3.f  fftw3.f03  fftw3.h

here is the command I use inside the gromacs-4.5.5 directory

./configure --prefix=$SOFT --with-gsl --disable-float --with-qmmm-orca
--without-qmmm-gaussian --disable-shared

I get the following error

checking for sqrt in -lm... yes
checking for fftw3.h... yes
checking for main in -lfftw3... no
configure: error: Cannot find fftw3 library


Any help would be greatly appreciated.

Ramon
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