[gmx-users] configure problem in SGI

[raja]

Dear Mr.Spoel,
     Thanks for your reply. Yea I checked , the corresponding files are
     there is "/usr/local/lib". Totally 8 files and
1 folder called "pkgconfig". More I also tried to set envirnomental
variable to CPPFLAGS and LDFLAGS as command before configure but no
effect. 
May I have to add these environmental variables in my .cshrc file ?. 

Please suggest me any other flags to be enabled or disabled to make
configure to get path of fftw library files.

With thanks!
B.Nataraj

On Mon, 03 Apr 2006 09:06:22 +0200, "David van der Spoel"
<spoel at xray.bmc.uu.se> said:
> raja wrote:
> > Dear gmxions,
> > I tried to compile gromacs in SGI IRIX6.5. I followed configuring and
> > installing of fftw, both single and double precision as per gromacs
> > website. When I tried to configure gromacs...it says.." Cannot find any
> > single precision fftw.h or sfftw.h". I also checked the
> > "/usr/local/include/". The folder contains 2 files "fftw3.f" and
> > "fftw3.h". More I had the experince of compiling under cygwin. So I did
> > crosscheck for files under  folder in cygwin (/usr/local/include/ )
> > found exactly same files there too as "fftw3.f" and "fftw3.h". But the
> > configuration of gromacs worked in cygwin without any error, otherhand
> > why it fails in SGI ? Please help me out !
> Maybe you explicitly have to add /usr/local/include to the CPPFLAGS 
> environment variable.
> 
> Do you have the corresponding libraries in /usr/local/lib?
> 
> > 
> > I also pasted detailed error output while configuring gromacs in SGI.
> > ###############################################################################
> > checking how to hardcode library paths into programs... immediate
> > checking whether stripping libraries is possible... no
> > checking dynamic linker characteristics... irix6.5 ld.so
> > checking whether ln -s works... yes
> > checking for sqrt in -lm... yes
> > checking for fftw.h... no
> > checking for sfftw.h... no
> > configure: error: Cannot find any single precision fftw.h or sfftw.h
> > Do you have single 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.
> > If you compiled FFTW yourself:
> > Note that the default FFTW setup is double precision. Change the FFTW
> > configuration to single with --enable-float. If you want MPI support,
> > use --enable-mpi. It is a good idea to install both single & double.
> > If your sysadm doesn't want to install it you can do it to a location
> > in your home directory and provide the correct paths in ......
> > ###################################################################################
> > 
> > With thanks !
> > B.Nataraj
> 
> 
> -- 
> David.
> ________________________________________________________________________
> 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://folding.bmc.uu.se
> ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
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-- 
  raja
  raja_28 at fastmail.us

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