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

bozell, joe joe_bozell at nrel.gov
Thu Dec 2 21:05:03 CET 2004


I read with interest a recent (11/11) posting regarding an error message
seen when installing Gromacs 3.2.1 on Mac OSX:

³checking 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)²

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. There¹s
a couple of interesting things that I have observed. First, if I go to the
directory where I installed FFTW, I find the files ³fftw3.f² and ³fftw3.h²
from the FFTW installation. Since the file names did not appear to be what
Gromacs was seeking, I simply copied the ³fftw3.h² file into two renamed
files ³sfftw.h² and ³fftw.h². When the configure command is entered, the
error message changes slightly:

³checking 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)²

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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