[CP2K:3156] building cp2k on CentOS 5.5

Dominik 'Rathann' Mierzejewski rat... at gmail.com
Mon Mar 21 15:54:02 CET 2011


On Saturday, 19 March 2011 at 15:53, Peter Tentscher wrote:
> Dear Dominik,
> 
> CentOS 5.5 comes with a gcc/gfortran of the 4.1 series. CP2K is quite 
> demanding to the compiler, and gfortran has progressed in the recent 
> years to better comply with standards. In other words: if you're stoned 
> to gfortran 4.1, you'll most likely never be able to build it.
> My recommendation is to build a new build environment from scratch with 
> a newer gcc/gfortran, e.g. the 4.3 or 4.4 series. This worked fine for 
> me on RHEL 5.5.

Well, as I wrote in the bug report, there is gfortran-4.4 (gcc-gfortran44)
available in CentOS 5 repositories. However, it can't compile the OpenMP
version of the code. I've submitted a bug to CentOS bugtracker for that
already.

Also, I'm trying to build a package (I'm the package maintainer of cp2k
packages for Fedora and EPEL), which means I have to use what's available
in the official repositories or package it myself and add as a (build)
dependency.

Regards,
Dominik

-- 
The Fremen were supreme in that quality the ancients called "spannungsbogen"
-- which is the self-imposed delay between desire for a thing and the act of
reaching out to grasp that thing.
	-- from "The Wisdom of Muad'Dib" by the Princess Irulan



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