[gmx-users] Gromacs installation on Mac OSX, again

Heikki Käsnänen hkasnane at hytti.uku.fi
Thu Dec 2 21:23:24 CET 2004

Hello Joe,

Please check the installation pages starting from 
You should use older version of the fftw.

Best regards,


bozell, joe wrote:
> I read with interest a recent (11/11) posting regarding an error message 
> seen when installing Gromacs 3.2.1 on Mac OSX:
> “checking for sfftw.h... no
> checking for fftw.h... no
> configure: error: Cannot find any single precision sfftw.h or fftw.h
> Do you have single precision FFTW installed?...(remainder of longer 
> error message)”
> I am getting the same message. I have installed FFTW 3.0.1 using the 
> —enable-float flag, and since I am setting it up in a different 
> location, I have also set the CPPFLAGS and LDFLAGS to point at the new 
> location. There’s a couple of interesting things that I have observed. 
> First, if I go to the directory where I installed FFTW, I find the files 
> “fftw3.f” and “fftw3.h” from the FFTW installation. Since the file names 
> did not appear to be what Gromacs was seeking, I simply copied the 
> “fftw3.h” file into two renamed files “sfftw.h” and “fftw.h”. When the 
> configure command is entered, the error message changes slightly:
> “checking for sfftw.h... yes
> checking for fftw.h... yes
> configure: error: Cannot find any single precision sfftw.h or fftw.h
> Do you have single precision FFTW installed?...( remainder of longer 
> error message)”
> Thus, the flags appear to be working since the configuration sees the 
> file names in the proper location, but it looks like the required files 
> are not being recognized.  I am trying to install on Mac Powerbook G4, 
> OS 10.3.6, using the Apple developer tools that are bundled with the 
> software.
> Full disclosure: I am by no means a Unix expert, thus, I am hoping that 
> the pros on the list will recognize something simple that I have overlooked.
> Thanks for any help.
> Joe Bozell
> National Renewable Energy Laboratory
> Golden, CO
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Heikki Käsnänen
B.Sc (Pharm.)
M.Sc (Pharm.) Student
Pyöräkatu 9B31
70600 Kuopio
tel. +358503793602

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