[gmx-users] Installation of GROMACS

[Ansgar Esztermann]

On Tue, Nov 28, 2006 at 08:59:42AM -0500, Mark Zottola wrote:
> I am trying to install GROMACS 3.3-1.  the issue is that it is looking for
> the libfftw3f.so.3 file.  This file exists in /usr/lib.  However, the rpm
> install does not see this.  I cannot find a way to see tha path that the rpm
> wants to detect this file.  Can anyone tell me where this library file
> should be in order to get a successful install?

RPM does not look for files. It looks for "capabilities" instead. Did
you install libfftw via RPM as well? You can find that out via
rpm -qf /usr/lib/libfftw3f.so.3

Type 

rpm -qp --requires gromacs-package.rpm 

(substituting the correct .rpm file name) to find out which capability
gromacs needs; use 

rpm -qf --provides  /usr/lib/libfftw3f.so.3

to find out which capabilities are provided by your installation of
the fftw library.

It is possible to install packages using the --nodeps switch, but that
is not recommended. It may make things very complicated later on.

A.


-- 
Ansgar Esztermann
Researcher & Sysadmin
http://www.mpibpc.mpg.de/groups/grubmueller/start/people/aeszter/index.shtml
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