How To Install psi4-data on Ubuntu
Posted on April 1, 2023 (Last modified on May 20, 2023 )
2 minutes • 369 words
Introduction
In this tutorial we learn how to install psi4-data on Ubuntu.
What is psi4-data
psi4-data is:
PSI4 is an ab-initio quantum chemistry program. It is especially designed to accurately compute properties of small to medium molecules using highly correlated techniques. PSI4 is the parallelized successor of PSI3 and includes many state-of-the-art theoretical methods.
This package contains data files and the HTML documentation.
There are three methods to install psi4-data on Ubuntu. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install psi4-data Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install psi4-data using apt-get by running the following command:
sudo apt-get -y install psi4-data
Install psi4-data Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install psi4-data using apt by running the following command:
sudo apt -y install psi4-data
Install psi4-data 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 psi4-data using aptitude by running the following command:
sudo aptitude -y install psi4-data
How To Uninstall psi4-data on Ubuntu
To uninstall only the psi4-data package we can use the following command:
sudo apt-get remove psi4-data
Uninstall psi4-data And Its Dependencies
To uninstall psi4-data and its dependencies that are no longer needed by Ubuntu, we can use the command below:
sudo apt-get -y autoremove psi4-data
Remove psi4-data Configurations and Data
To remove psi4-data configuration and data from Ubuntu we can use the following command:
sudo apt-get -y purge psi4-data
Remove psi4-data configuration, data, and all of its dependencies
We can use the following command to remove psi4-data configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge psi4-data
Dependencies
psi4-data have the following dependencies:
References
Summary
In this tutorial we learn how to install psi4-data package on Ubuntu using different package management tools: apt, apt-get and aptitude.