[gmx-users] installation and fftw3.h

[Peter Palenchar]

Hi,

I'm trying to install GROMACS 4.6.5 with cygwin. The quick and dirty instructions did not work because of an issue with the precision. I've used:



$ cmake .. -DGMX_BUILD_OWN_FFTW=ON



with the idea that GROMACS would build the fftw properly.

I then tried make, but got:



/cygdrive/c/Users/Administrator/Desktop/gromacs-4.6.5/src/gmxlib/copyrite.c:50:19: fatal error: fftw3.h: No such file or directory

#include <fftw3.h>



I've used the export commands to point where the directories are:



$ export CPPFLAGS=-"I/cygdrive/C/Users/Administrator/Desktop/gromacs-4.6.5/build/src/contrib/fftw/fftwBuild-prefix/include"

$ export LDFLAGS=-"L/cygdrive/C/Users/Administrator/Desktop/gromacs-4.6.5/build/src/contrib/fftw/fftwBuild-prefix/lib"



That seems to have worked:



$ echo $CPPFLAGS

-I/cygdrive/C/Users/Administrator/Desktop/gromacs-4.6.5/build/src/contrib/fftw/fftwBuild-prefix/include



$ echo $LDFLAGS

-L/cygdrive/C/Users/Administrator/Desktop/gromacs-4.6.5/build/src/contrib/fftw/fftwBuild-prefix/lib



But when I use make I get the same exact error:



/cygdrive/c/Users/Administrator/Desktop/gromacs-4.6.5/src/gmxlib/copyrite.c:50:19: fatal error: fftw3.h: No such file or directory

#include <fftw3.h>



The content of the lib directory looks like this:



/cygdrive/c/Users/Administrator/Desktop/gromacs-4.6.5/build/src/contrib/fftw/fftwBuild-prefix/lib

$ ls -l

total 2568

-rw-r--r-- 1 Administrator None 2625100 Feb 10 08:55 libfftw3f.a

-rwxr-xr-x 1 Administrator None 969 Feb 10 08:55 libfftw3f.la

drwxr-xr-x+ 1 Administrator None 0 Feb 10 08:55 pkgconfig



I saw on-line where somebody that made the fftw files themselves did it wrong and had the wrong files and therefore wrong names and had the same file names as I have, but I've also seen messages that made it seem like that their are installs where those file names have worked.



Any suggestions?



Thanks!



Peter