How To Install gpaw on Ubuntu 22.04
Introduction
In this tutorial we learn how to install gpaw on Ubuntu 22.04.
What is gpaw
gpaw is:
A density-functional theory (DFT) Python code based on the projector-augmented wave (PAW) method and the atomic simulation environment (ASE). It uses real-space uniform grids and multigrid methods, atom-centered basis-functions or plane-waves.
There are three methods to install gpaw on Ubuntu 22.04. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install gpaw Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install gpaw using apt-get by running the following command:
sudo apt-get -y install gpaw
Install gpaw Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install gpaw using apt by running the following command:
sudo apt -y install gpaw
Install gpaw Using aptitude
If you want to follow this method, you might need to install aptitude first since aptitude is usually not installed by default on Ubuntu. Update apt database with aptitude using the following command.
sudo aptitude update
After updating apt database, We can install gpaw using aptitude by running the following command:
sudo aptitude -y install gpaw
How To Uninstall gpaw on Ubuntu 22.04
To uninstall only the gpaw package we can use the following command:
sudo apt-get remove gpaw
Uninstall gpaw And Its Dependencies
To uninstall gpaw and its dependencies that are no longer needed by Ubuntu 22.04, we can use the command below:
sudo apt-get -y autoremove gpaw
Remove gpaw Configurations and Data
To remove gpaw configuration and data from Ubuntu 22.04 we can use the following command:
sudo apt-get -y purge gpaw
Remove gpaw configuration, data, and all of its dependencies
We can use the following command to remove gpaw configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge gpaw
References
Summary
In this tutorial we learn how to install gpaw package on Ubuntu 22.04 using different package management tools: apt, apt-get and aptitude.