How To Install python3-amp on Ubuntu 18.04
Introduction
In this tutorial we learn how to install python3-amp on Ubuntu 18.04.
What is python3-amp
python3-amp is:
Amp is an open-source package designed to easily bring machine-learning to atomistic calculations. This project is being developed at Brown University in the School of Engineering, primarily by Andrew Peterson and Alireza Khorshidi, and is released under the GNU General Public License. Amp allows for the modular representation of the potential energy surface, allowing the user to specify or create descriptor and regression methods.
Amp is designed to integrate closely with the Atomic Simulation Environment (ASE). As such, the interface is in pure python, although several compute-heavy parts of the underlying code also have fortran versions to accelerate the calculations. The close integration with ASE means that any calculator that works with ASE ─ including EMT, GPAW, DACAPO, VASP, NWChem, and Gaussian ─ can easily be used as the parent method.
This package provides the python 3 modules.
There are three methods to install python3-amp on Ubuntu 18.04. We can use apt-get, apt and aptitude. In the following sections we will describe each method. You can choose one of them.
Install python3-amp Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get update
After updating apt database, We can install python3-amp using apt-get by running the following command:
sudo apt-get -y install python3-amp
Install python3-amp Using apt
Update apt database with apt using the following command.
sudo apt update
After updating apt database, We can install python3-amp using apt by running the following command:
sudo apt -y install python3-amp
Install python3-amp 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 python3-amp using aptitude by running the following command:
sudo aptitude -y install python3-amp
How To Uninstall python3-amp on Ubuntu 18.04
To uninstall only the python3-amp package we can use the following command:
sudo apt-get remove python3-amp
Uninstall python3-amp And Its Dependencies
To uninstall python3-amp and its dependencies that are no longer needed by Ubuntu 18.04, we can use the command below:
sudo apt-get -y autoremove python3-amp
Remove python3-amp Configurations and Data
To remove python3-amp configuration and data from Ubuntu 18.04 we can use the following command:
sudo apt-get -y purge python3-amp
Remove python3-amp configuration, data, and all of its dependencies
We can use the following command to remove python3-amp configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge python3-amp
References
Summary
In this tutorial we learn how to install python3-amp package on Ubuntu 18.04 using different package management tools: apt, apt-get and aptitude.
