Information about the package, cp2k-mpich, which is shipped with common Linux distributions. The cp2k-mpich package is designed for, Molecular simulations software - mpich version.
Package Name:
cp2k-mpich
Summary:
Molecular simulations software - mpich version
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 parallel single- and multi-threaded versions using mpich.
Architecture:
x86_64
Version:
2.4
Release:
4.20140428svn13818.el6
Size:
14 M
Repository:
epel
From Repository:
Licence:
GPLv2+
Control the cp2k-mpich package with the following handy commands outlined below.
yum install cp2k-mpich
This command will install cp2k-mpich on the server.
yum remove cp2k-mpich
This command will un-install cp2k-mpich on the server. When you run this command, you will be asked if you are sure that you want to remove cp2k-mpich, so you have to manually confirm that you want to do this.
yum -y remove cp2k-mpich
This command will un-install cp2k-mpich 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-mpich when using the -y flag.
yum update cp2k-mpich
This command will update cp2k-mpich to the latest version. When you run this command, you will be asked if you are sure that you want to remove cp2k-mpich, so you have to manually confirm that you want to do this.
yum -y update cp2k-mpich
This command will update cp2k-mpich 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-mpich when using the -y flag.
yum info cp2k-mpich
This command will show you core information about the cp2k-mpich package.
yum deplist cp2k-mpich
This command will show you the dependencies for cp2k-mpich. 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-mpich
This command will check if there is an update waiting on cp2k-mpich. 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.