How To Install quantum-espresso-devel on CentOS 8
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.