[gmx-users] Re: gmx-users Digest, Vol 16, Issue 40
spoel at xray.bmc.uu.se
Mon Aug 15 21:31:16 CEST 2005
On Mon, 2005-08-15 at 09:52 -0500, Matthew Davis wrote:
> 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?
Don't think so. Check your config.log to see what goes wrong and report
back to the list.
> 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
> > 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
> > 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
> single and double precision.
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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