On 2010-08-20 09.14, Mark Abraham wrote:
----- Original Message -----
From: priyabrata panigrahi <priyabra...@gmail.com>
Date: Friday, August 20, 2010 16:56
Subject: [gmx-users] installation problem of gromacs binary
To: gmx-users@gromacs.org
> I was trying to install gromacs-3.3.3-1.x86_64.rpm. I got the
following error
>
> error: Failed dependencies:
> fftw3 >= 3.0.1 is needed by gromacs-3.3.3-1.x86_64
> libfftw3f.so.3()(64bit) is needed by gromacs-3.3.3-1.x86_64
>
> I installed fftw-3.2.2.tar.gz.
Mixing RPM and source distributions doesn't really work, because the RPM
database is unaware of anything you've done outside RPM.
Either install a *single-precision* FFTW3 RPM, or GROMACS also from source.
Mark
And, obviously, you might want to consider a newer gromacs version.
For quite a few distributions you can use yum or apt-get gromacs.
--
David van der Spoel, Ph.D., Professor of Biology
Dept. of Cell & Molec. Biol., Uppsala University.
Box 596, 75124 Uppsala, Sweden. Phone: +46184714205.
sp...@xray.bmc.uu.se http://folding.bmc.uu.se
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