Information about the package, cp2k, which is shipped with common Linux distributions. The cp2k package is designed for, Ab Initio Molecular Dynamics.
Package Name:
cp2k
Summary:
Ab Initio Molecular Dynamics
URL:
Description:
CP2K is a freely available (GPL) program, written in Fortran 95, to perform atomistic and molecular simulations of solid state, liquid, molecular and biological systems. It provides a general framework for different methods such as e.g. density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW), and classical pair and many-body potentials. CP2K does not implement Car-Parinello Molecular Dynamics (CPMD). This package contains the non-MPI single process and multi-threaded versions.
Architecture:
x86_64
Version:
2.4
Release:
4.20140428svn13818.el6
Size:
13 M
Repository:
epel
From Repository:
Licence:
GPLv2+
Control the cp2k package with the following handy commands outlined below.
yum install cp2k
This command will install cp2k on the server.
yum remove cp2k
This command will un-install cp2k on the server. When you run this command, you will be asked if you are sure that you want to remove cp2k, so you have to manually confirm that you want to do this.
yum -y remove cp2k
This command will un-install cp2k on the server. When you run this command with th e -y flag, you will not be prompted to check that you are sure you want to remove the package - so be sure you absolutely want to remove cp2k when using the -y flag.
yum update cp2k
This command will update cp2k to the latest version. When you run this command, you will be asked if you are sure that you want to remove cp2k, so you have to manually confirm that you want to do this.
yum -y update cp2k
This command will update cp2k to the latest version. When you run this command with the -y flag, you will not be prompted to check that you are sure you want to remove the package - so be sure you absolutely want to remove cp2k when using the -y flag.
yum info cp2k
This command will show you core information about the cp2k package.
yum deplist cp2k
This command will show you the dependencies for cp2k. Thankfully, when using Yum, if dependencies are required, these are also installed at the same time so you don't have to worry too much about that.
yum check-update cp2k
This command will check if there is an update waiting on cp2k. When you run this command this will return nothing if there is nothing to update, or, will return the package name if the package is due to be updated.