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

[Ken Rotondi]

fftw 2.1.5 is the last version that works with GROMACS

On Dec 2, 2004, at 3:05 PM, 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
>  USA
>
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