How To Install quantum-espresso-devel on CentOS 8

quantum-espresso-devel is quantum-espresso - devel

Introduction

In this tutorial we learn how to install quantum-espresso-devel on CentOS 8.

What is quantum-espresso-devel

QUANTUM ESPRESSO is an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale. It is based on density-functional theory, plane waves, and pseudopotentials. This package contains modules and headers.

We can use yum or dnf to install quantum-espresso-devel on CentOS 8. In this tutorial we discuss both methods but you only need to choose one of method to install quantum-espresso-devel.

Install quantum-espresso-devel on CentOS 8 Using dnf

Update yum database with dnf using the following command.

sudo dnf makecache --refresh

The output should look something like this:

CentOS Linux 8 - AppStream                                       43 kB/s | 4.3 kB     00:00    
CentOS Linux 8 - BaseOS                                          65 kB/s | 3.9 kB     00:00    
CentOS Linux 8 - ContinuousRelease                               43 kB/s | 3.0 kB     00:00    
CentOS Linux 8 - Extras                                          23 kB/s | 1.5 kB     00:00    
CentOS Linux 8 - FastTrack                                       40 kB/s | 3.0 kB     00:00    
CentOS Linux 8 - HighAvailability                                36 kB/s | 3.9 kB     00:00    
CentOS Linux 8 - Plus                                            24 kB/s | 1.5 kB     00:00    
CentOS Linux 8 - PowerTools                                      50 kB/s | 4.3 kB     00:00    
Extra Packages for Enterprise Linux Modular 8 - x86_64           13 kB/s | 9.2 kB     00:00    
Extra Packages for Enterprise Linux 8 - x86_64                   24 kB/s | 8.5 kB     00:00    
Metadata cache created.

After updating yum database, We can install quantum-espresso-devel using dnf by running the following command:

sudo dnf -y install quantum-espresso-devel

Install quantum-espresso-devel on CentOS 8 Using yum

Update yum database with yum using the following command.

sudo yum makecache --refresh

The output should look something like this:

CentOS Linux 8 - AppStream                                       43 kB/s | 4.3 kB     00:00    
CentOS Linux 8 - BaseOS                                          65 kB/s | 3.9 kB     00:00    
CentOS Linux 8 - ContinuousRelease                               43 kB/s | 3.0 kB     00:00    
CentOS Linux 8 - Extras                                          23 kB/s | 1.5 kB     00:00    
CentOS Linux 8 - FastTrack                                       40 kB/s | 3.0 kB     00:00    
CentOS Linux 8 - HighAvailability                                36 kB/s | 3.9 kB     00:00    
CentOS Linux 8 - Plus                                            24 kB/s | 1.5 kB     00:00    
CentOS Linux 8 - PowerTools                                      50 kB/s | 4.3 kB     00:00    
Extra Packages for Enterprise Linux Modular 8 - x86_64           13 kB/s | 9.2 kB     00:00    
Extra Packages for Enterprise Linux 8 - x86_64                   24 kB/s | 8.5 kB     00:00    
Metadata cache created.

After updating yum database, We can install quantum-espresso-devel using yum by running the following command:

sudo yum -y install quantum-espresso-devel

How To Uninstall quantum-espresso-devel on CentOS 8

To uninstall only the quantum-espresso-devel package we can use the following command:

sudo dnf remove quantum-espresso-devel

quantum-espresso-devel Package Contents on CentOS 8

/usr/lib64/gfortran/modules/iotk_attr_interf.mod
/usr/lib64/gfortran/modules/iotk_base.mod
/usr/lib64/gfortran/modules/iotk_dat_interf.mod
/usr/lib64/gfortran/modules/iotk_error_interf.mod
/usr/lib64/gfortran/modules/iotk_files_interf.mod
/usr/lib64/gfortran/modules/iotk_fmt_interf.mod
/usr/lib64/gfortran/modules/iotk_misc_interf.mod
/usr/lib64/gfortran/modules/iotk_module.mod
/usr/lib64/gfortran/modules/iotk_scan_interf.mod
/usr/lib64/gfortran/modules/iotk_str_interf.mod
/usr/lib64/gfortran/modules/iotk_stream_interf.mod
/usr/lib64/gfortran/modules/iotk_tool_interf.mod
/usr/lib64/gfortran/modules/iotk_unit_interf.mod
/usr/lib64/gfortran/modules/iotk_unit_list_module.mod
/usr/lib64/gfortran/modules/iotk_write_interf.mod
/usr/lib64/gfortran/modules/iotk_xtox_interf.mod
/usr/share/licenses/quantum-espresso-devel
/usr/share/licenses/quantum-espresso-devel/License

References

Summary

In this tutorial we learn how to install quantum-espresso-devel on CentOS 8 using yum and dnf.