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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