How To Install python3-qcengine on Kali Linux
Introduction
In this tutorial we learn how to install python3-qcengine on Kali Linux.
What is python3-qcengine
python3-qcengine is:
QCEngine provides a wrapper to ingest and produce QCSchema for a variety of quantum chemistry programs, most notably Psi4, NWchem, RDKit and Mopac.
Other supported (possibly proprietary) packages include DFTD3, MOLPRO, MPD2, OpenMM, Q-Chem, Turbomole, xtb, CFour, GAMESS, Terachem and TorchANI.
There are three methods to install python3-qcengine on Kali Linux. 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-qcengine Using apt-get
Update apt database with apt-get using the following command.
sudo apt-get updateAfter updating apt database, We can install python3-qcengine using apt-get by running the following command:
sudo apt-get -y install python3-qcengineInstall python3-qcengine Using apt
Update apt database with apt using the following command.
sudo apt updateAfter updating apt database, We can install python3-qcengine using apt by running the following command:
sudo apt -y install python3-qcengineInstall python3-qcengine Using aptitude
If you want to follow this method, you might need to install aptitude on Kali Linux first since aptitude is usually not installed by default on Kali Linux. Update apt database with aptitude using the following command.
sudo aptitude updateAfter updating apt database, We can install python3-qcengine using aptitude by running the following command:
sudo aptitude -y install python3-qcengineHow To Uninstall python3-qcengine on Kali Linux
To uninstall only the python3-qcengine package we can use the following command:
sudo apt-get remove python3-qcengineUninstall python3-qcengine And Its Dependencies
To uninstall python3-qcengine and its dependencies that are no longer needed by Kali Linux, we can use the command below:
sudo apt-get -y autoremove python3-qcengineRemove python3-qcengine Configurations and Data
To remove python3-qcengine configuration and data from Kali Linux we can use the following command:
sudo apt-get -y purge python3-qcengineRemove python3-qcengine configuration, data, and all of its dependencies
We can use the following command to remove python3-qcengine configurations, data and all of its dependencies, we can use the following command:
sudo apt-get -y autoremove --purge python3-qcengineDependencies
python3-qcengine have the following dependencies:
References
Summary
In this tutorial we learn how to install python3-qcengine package on Kali Linux using different package management tools: apt, apt-get and aptitude.
