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 <[EMAIL PROTECTED]>
Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org>
To: Discussion list for GROMACS users <gmx-users@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" <[EMAIL PROTECTED]>
> >Reply-To: Discussion list for GROMACS users <gmx-users@gromacs.org>
> >To: gmx-users@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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