[gmx-users] HELP install on AlphaTrue64

[Luciano Costa]

Hi, gmx' users,

I have tried to install gromacs on Alpha True64 UNIX. I made the process 
below:

with fftw-3.0.1.tar.gz (uncompress and cd ./fftw-3.0.1

# ./configure --enable-float --prefix=/usr/users/fftw
# make
# make install

it was ok !

but I when was to install gromacs:

# export CPPFLAGS=-I/usr/users/fftw/include
# export LDFLAGS=-L/usr/users/fftw/lib
# ./configure

it shows:
configure: error: Cannot find any single precision sfftw.h or fftw.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 <http://www.fftw.org>, and detailed instructions at 
www.gromacs.org <http://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 the CPPFLAGS
and LDFLAGS environment variables before running configure.
That is also necessary to do if your compiler doesn't search
/usr/local/include and /usr/local/lib by default.
You can find information at www.gromacs.org <http://www.gromacs.org>, or in 
the INSTALL file.


I think that the flags in the installation of fftw are correct. It's such as 
the INSTALL file:

* FFTW OR OTHER LIBRARIES IN NON-STANDARD LOCATIONS:

If you install FFTW in your homedirectory or some other place where
it isn't found automatically (not all systems search /usr/local)
by the compiler you should set the environment variables before
executing configure. Assume we configured and installed FFTW with
--prefix=/home/erik/fftw. If your shell is tcsh, you set

setenv CPPFLAGS -I/home/erik/fftw/include
setenv LDFLAGS -L/home/erik/fftw/lib

or, if you are using a bash shell:

export CPPFLAGS=-I/home/erik/fftw/include
export LDFLAGS=-L/home/erik/fftw/lib


---------> What should I do ?! Someone can I help me ?!

Thanks in advance !!









-- 
### Luciano Tavares da Costa ###
## 100 % Linux
## ltcnikit at gmail.com
#############################
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