[gmx-users] Installation of GROMACS

sebastien santini santini.s at fsagx.ac.be
Tue Nov 28 16:31:22 CET 2006


I had the same problem (under fedora core 5 on a VMWare workstation) and 
solved it
by deleting the natively installed fftw package and reinstall it using
a rpm found on the web.


Ansgar Esztermann a écrit :
> 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.
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 Sébastien SANTINI, PhD 

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