[gmx-users] installation problem of gromacs binary

Mark Abraham mark.abraham at anu.edu.au
Fri Aug 20 09:14:32 CEST 2010

----- Original Message -----
From: priyabrata panigrahi <priyabrata0 at gmail.com>
Date: Friday, August 20, 2010 16:56
Subject: [gmx-users] installation problem of gromacs binary
To: gmx-users at 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.

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