[gmx-users] FFTW installation error: cannot compile asimpleFortran program

[Ge Sunny]

Dear Florian,

Thanks for your help. The installation of FFTW3 source code does work by 
setting the prefix. Then, I have set LDFLAGS and CPPFLAGS to install Gromacs 
from gromacs-3.3.1-1.src.rpm. However, there is an error when installing 
Gromacs:

$ rpmbuild -rebuild gromacs-3.3.1-1.src.rpm
... ...
checking for fftw3.h... yes
checking for main in -lfftw3f... no
configure: error: Cannot find fftw3f library
error: Bad exit status from /var/tmp/rpm-tmp.67043 (%build)

RPM build errors:
    user erikli does not exist - using root
    group el does not exist - using root
    user erikli does not exist - using root
    group el does not exist - using root
    Bad exit status from /var/tmp/rpm-tmp.67043 (%build)


I can only find fftw3.f under ./fftw/include. Don't know what fftw3f is.

Sunny


>From: Florian Haberl <Florian.Haberl at chemie.uni-erlangen.de>
>Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>To: Discussion list for GROMACS users <gmx-users at gromacs.org>
>Subject: Re: [gmx-users] FFTW installation error: cannot compile 
>asimpleFortran program
>Date: Wed, 19 Apr 2006 18:27:16 +0200
>
>hi,
>
>simple install first fftw with:
>
>grep fftw from fftw site
>
>wget http://www.fftw.org/fftw-3.1.1.tar.gz
>unpack
>./configure --prefix=/hereyourdirectorywhereyoucanwrite
>make && make install
>
>than do:
>
>setenv LDFLAGS -L/raid1/haberl/bin/fftw/3.0.1-32/lib
>setenv CPPFLAGS -I/raid1/haberl/bin/fftw/3.0.1-32/include
>(change your lib and include directory to the one above)
>
>than configure gromacs
>
>if fortran doesn`t work try a --disable-fortran
>
>On Wednesday 19 April 2006 15:57, Ge Sunny wrote:
> > >From: "Ge Sunny" <ge_sunny at hotmail.com>
> > >Reply-To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> > >To: gmx-users at gromacs.org
> > >Subject: Re: [gmx-users] FFTW installation error: cannot compile a
> > >simpleFortran program
> > >Date: Wed, 19 Apr 2006 13:32:14 +0000
> > >
> > >To Mark:
> > >>I use the binary fftw3-3.0.1-4 on FC4 with no complaints. Why not use 
>it?
> > >
> > >There is another problem. I'm not root. Running from binary pack has an
> > >error:
> > >
> > >error: can't create transaction lock on /var/lib/rpm/__db.000
> > >
> > >I have tried creating .rpcmacros and all ./rpm subdirectories under my
> > > home directory, then run rpm. The error above still occurs.
> >
> > Sorry. I mean .rpmmacros is created which includes:
> >
> > %_topdir my_home/rpm
> >
> > Then run "rpm -ivh fftw3-3.0.1-4.x86_64.rpm". It causes "error: can't
> > create transaction lock on /var/lib/rpm/__db.000" because I don't have 
>root
> > permission.
> >
> > >Sunny
> > >
> > >_________________________________________________________________
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>Greetings,
>
>Florian
>
>--
>-------------------------------------------------------------------------------
>  Florian Haberl
>  Computer-Chemie-Centrum
>  Universitaet Erlangen/ Nuernberg
>  Naegelsbachstr 25
>  D-91052 Erlangen
>  Mailto: florian.haberl AT chemie.uni-erlangen.de
>-------------------------------------------------------------------------------
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