[gmx-users] compiling gromacs 3.1.3 on MacOSX

[rams at poori.biochem.uiowa.edu]

Valentin,

YOu have to make sure that after you have installed fink you have
the /sw/bin/init.csh in your .cshrc file.

then set the flags to /sw/..  that is where fftw is

then I did 
/bin/bash ./cofigure

I am assuming that you installed bash - else, I installed it from Apples 
download site...

Hm!! cant think of anythign special that I did..

Rams.

On Sat, 25 May 2002, Valentin Gogonea wrote:

> Thanks David,
> 
> I did some progress with your suggestion, but I don't get a Makefile in 
> the end but a lot of error messages like that:
> 
> configure: creating ./config.status
> config.status: creating Makefile
> sed: 48: /tmp/cs22770-12132/subs-1.sed: unescaped newline inside 
> substitute pattern
> sed: 3: /tmp/cs22770-12132/subs-2.sed: invalid command code m
> config.status: creating src/Makefile
> sed: 48: /tmp/cs22770-12132/subs-1.sed: unescaped newline inside 
> substitute pattern
> sed: 3: /tmp/cs22770-12132/subs-2.sed: invalid command code m
> 
> I am running /configure from bash shell. Do you have any suggestion on 
> how to proceed?
> 
> Thank you,
> 
>   Valentin
> 
> On Saturday, May 25, 2002, at 03:13 PM, David van der Spoel wrote:
> 
> > On Sat, 25 May 2002, Valentin Gogonea wrote:
> >
> >> Rams,
> >>
> >> I reformat the disk, reinstalled OSX and fink and than installed g77 
> >> and
> >> fftw with fink. So when I tried to install gromacs
> >>
> >> ./configure --disable-float  --disable-altivec-ppc
> >>
> >> I got the following error:
> >>
> >> configure: error: Cannot find any double precision dfftw.h or fftw.h
> >> Do you have double precision FFTW installed? If you are using packages,
> >> note that you also need fftw-devel to compile GROMACS. You can find the
> >> software at www.fftw.org, and detailed instructions at www.gromacs.org
> >
> > Try setting the env flags to find fftw:
> > setenv CPPFLAGS -I/opt/fftw/include
> > setenv LDFLAGS -L/opt/fftw/lib
> >
> > or wherever you have it installed...
> >
> > Groeten, David.
> > ________________________________________________________________________
> > Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
> > Husargatan 3, Box 576,  	75123 Uppsala, Sweden
> > phone:	46 18 471 4205		fax: 46 18 511 755
> > spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
> > ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
> >
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-- 
S. Ramaswamy
Department of Biochemistry.
University of Iowa.