How To Install python3-pymbar on Debian 12

Learn how to install python3-pymbar on Debian 12 with this tutorial. python3-pymbar is Python implementation of the multistate Bennett acceptance ratio (MBAR)

Introduction

In this tutorial we learn how to install python3-pymbar on Debian 12.

What is python3-pymbar

python3-pymbar is:

Pymbar is a library that provides tools for optimally combining simulations from multiple thermodynamic states using maximum likelihood methods to compute free energies (normalization constants) and expectation values from all of the samples simultaneously.

This package installs the library for Python 3.

There are three methods to install python3-pymbar on Debian 12. 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-pymbar 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-pymbar using apt-get by running the following command:

sudo apt-get -y install python3-pymbar

Install python3-pymbar Using apt

Update apt database with apt using the following command.

sudo apt update

After updating apt database, We can install python3-pymbar using apt by running the following command:

sudo apt -y install python3-pymbar

Install python3-pymbar 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 Debian. Update apt database with aptitude using the following command.

sudo aptitude update

After updating apt database, We can install python3-pymbar using aptitude by running the following command:

sudo aptitude -y install python3-pymbar

How To Uninstall python3-pymbar on Debian 12

To uninstall only the python3-pymbar package we can use the following command:

sudo apt-get remove python3-pymbar

Uninstall python3-pymbar And Its Dependencies

To uninstall python3-pymbar and its dependencies that are no longer needed by Debian 12, we can use the command below:

sudo apt-get -y autoremove python3-pymbar

Remove python3-pymbar Configurations and Data

To remove python3-pymbar configuration and data from Debian 12 we can use the following command:

sudo apt-get -y purge python3-pymbar

Remove python3-pymbar configuration, data, and all of its dependencies

We can use the following command to remove python3-pymbar configurations, data and all of its dependencies, we can use the following command:

sudo apt-get -y autoremove --purge python3-pymbar

Dependencies

python3-pymbar have the following dependencies:

References

Summary

In this tutorial we learn how to install python3-pymbar package on Debian 12 using different package management tools: apt, apt-get and aptitude.