How To Install python3-pyscf on Fedora 36
In this tutorial we learn how to install python3-pyscf in Fedora 36. python3-pyscf is Python 3 module for quantum chemistry
Introduction
In this tutorial we learn how to install python3-pyscf on Fedora 36.
What is python3-pyscf
Python‐based simulations of chemistry framework (PySCF) is a general‐purpose electronic structure platform designed from the ground up to emphasize code simplicity, so as to facilitate new method development and enable flexible computational workflows. The package provides a wide range of tools to support simulations of finite‐size systems, extended systems with periodic boundary conditions, low‐dimensional periodic systems, and custom Hamiltonians, using mean‐field and post‐mean‐field methods with standard Gaussian basis functions. To ensure ease of extensibility, PySCF uses the Python language to implement almost all of its features, while computationally critical paths are implemented with heavily optimized C routines. Using this combined Python/C implementation, the package is as efficient as the best existing C or Fortran‐based quantum chemistry programs.
We can use yum or dnf to install python3-pyscf on Fedora 36. In this tutorial we discuss both methods but you only need to choose one of method to install python3-pyscf.
Install python3-pyscf on Fedora 36 Using dnf
Update yum database with dnf using the following command.
sudo dnf makecache --refresh
After updating yum database, We can install python3-pyscf using dnf by running the following command:
sudo dnf -y install python3-pyscf
Install python3-pyscf on Fedora 36 Using yum
Update yum database with yum using the following command.
sudo yum makecache --refresh
After updating yum database, We can install python3-pyscf using yum by running the following command:
sudo yum -y install python3-pyscf
How To Uninstall python3-pyscf on Fedora 36
To uninstall only the python3-pyscf package we can use the following command:
sudo dnf remove python3-pyscf
python3-pyscf Package Contents on Fedora 36
/usr/lib/.build-id
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/usr/share/doc/python3-pyscf
/usr/share/doc/python3-pyscf/CHANGELOG
/usr/share/doc/python3-pyscf/CONTRIBUTING.md
/usr/share/doc/python3-pyscf/FEATURES
/usr/share/doc/python3-pyscf/NOTICE
/usr/share/doc/python3-pyscf/README.md
/usr/share/licenses/python3-pyscf
/usr/share/licenses/python3-pyscf/LICENSE
References
Summary
In this tutorial we learn how to install python3-pyscf on Fedora 36 using yum and [dnf]((/fedora/36/dnf/).