[gmx-users] OS X compiling woes

[Erik Lindahl]

Hi,

>     I'm under 10.1.3, but I don't know what effect that might have.  
> The gromacs version is 3.0.
>

First, download version 3.1 since that includes altivec loops. It will 
run at least 30% faster on a Mac.

>     I'm a unix novice, so I'm not really sure what all to look for, 
> but I've followed your suggestions as best I can from a previous 
> posting. I should note that I've used FINK to install the fftw 
> package.  Before running configure I do:
>
>
> setenv CPPFLAGS -I/sw/include
>
> setenv LDFLAGS -L/sw/lib
>
OS X uses zsh, so you probably need to use the bash/zsh syntax:

export CPPFLAGS="-I/sw/include"
export LDFLAGS=" -L/sw/lib"

>
> This should tell the compiler to find the fftw in the fink directory 
> (/sw).  At the end of running configure I get a number of sed notices, 
> the first two of which are:
>
>
> As you suggested earlier, I've edited config.status and put the second 
> directory on the same line as the first on six of the seven 
> locations.  The seventh one (s, at install_sh@,) doesn't have a second 
> path.  Rather it looks like:
>

OK, that suggestion was probably made before we knew what caused the 
error; the problem is that the default shell (/bin/sh) on Mac OS X is 
zsh instead of bash, so it breaks the autoconf/automake tools (It's 
general and not a Gromacs-specific problem).

Install the 'bash' shell (it's probably on your CD's or FINK) and run 
the configure script with it:

/path/to/bash ./configure <options>

The configure script should detect the altivec-capabilities of your 
compiler automatically.


Cheers,

Erik