[gmx-users] installation problem of gromacs binary
David van der Spoel
spoel at xray.bmc.uu.se
Fri Aug 20 09:23:25 CEST 2010
On 2010-08-20 09.14, Mark Abraham wrote:
> ----- 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.
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.
spoel at xray.bmc.uu.se http://folding.bmc.uu.se
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