[gmx-users] Re: gmx-users Digest, Vol 16, Issue 40

Matthew Davis mattdavis at us.ibm.com
Mon Aug 15 16:52:04 CEST 2005

Hello, and thank you for the initial response.  I have used
--enable-type-prefix for FFTW as instructed on the gromacs.org website, and
I have also directed the gromacs configure script to the FFTW libs I built
with the CPPFLAGS and LDFLAGS environment variables, but I still cannot get
gromacs to find the FFTW includes.

Is there a chance that this is broken for Linux on PowerPC?

Thank you again,


On Fri, 2005-08-12 at 15:32 -0500, Matthew Davis wrote:
> Hello,
> I'm using the CVS tree, though also have tried 3.2.1 tarball, with
> fftw 2.1.5. I build fftw both with --enable-float and without, doing a
> make distclean in between. I put them both in a directory in my home
> directory. Then I point the gromacs configure to them with $LDFLAGS
> and $CPPFLAGS, but I cannot get gromacs to find sfftw.h or fftw.h (or
> dfftw.h if I configure that way).

If fftw is installed in  /home/matt/fftw
you want
CPPFLAGS = /home/matt/fftw/include
LDFLAGS = /home/matt/fftw/lib
You also want to do
./configure --enable-type-prefix for FFTW
and to be on the safe side I always do a make distclean between building
single and double precision.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20050815/29f9298d/attachment.html>

More information about the gromacs.org_gmx-users mailing list