From 977a2b8813b577a70fc1cb103fbae92cdd07d136 Mon Sep 17 00:00:00 2001
From: Pranab Das <31024886+pranabdas@users.noreply.github.com>
Date: Mon, 15 Jan 2024 12:06:47 +0000
Subject: [PATCH] quantum espresso 7.3 installer for ubuntu 22.04

---
 README.md             | 51 +++++++++++++++++++++++++++++++++++++++++++
 docs/setup/install.md |  9 ++++++++
 2 files changed, 60 insertions(+)

diff --git a/README.md b/README.md
index f97fcc73..86310a64 100755
--- a/README.md
+++ b/README.md
@@ -7,3 +7,54 @@
 This repository contains the various input files and jupyter notebooks (for post
 processing and plotting) of the project. Please follow the tutorial at
 https://pranabdas.github.io/espresso/
+
+
+## Quantum ESPRESSO Installer
+
+In the repository [releases](https://github.com/pranabdas/espresso/releases),
+I provide pre-built binaries of Quantum ESPRESSO for easy installation.
+Currently, only Linux `.deb` packages are provided. Note that these packages are
+not well tested. If you find problems, you may open [issues](
+https://github.com/pranabdas/espresso/issues).
+
+### Quantum ESPRESSO 7.3
+
+Compiled using GNU libraries with parallel/OpenMPI enabled on a Ubuntu 22.04
+system. It should also work on Debian 11, or any other Linux distributions based
+on Ubuntu 22.04 or Debian 11. Other than these operating systems or versions, it
+is unlikely to work.
+
+### Installation
+
+Download the package, open a terminal, navigate to the download folder, and run:
+
+```console
+sudo apt update && sudo apt install ./quantum-espresso_7.3-1_amd64.deb
+```
+
+Upon installation, the executables will be placed under `/opt/espresso/7.3/`.
+
+### Set PATH environment variable
+
+You may add installation path to the `PATH` environment variable in `.bashrc`
+(or `.zshrc` depending on the shell you are using) so that you don't have to
+type absolute path of the executables. You can do that by:
+
+```console
+echo 'export PATH="/opt/espresso/7.3:$PATH"' >> ~/.bashrc
+```
+
+Restart your terminal to take effect. Example Quantum ESPRESSO command (run a
+`pw.x` calculation using 4 processors):
+
+```console
+mpirun -np 4 pw.x -i filename.in > filename.out
+```
+
+### Uninstall
+
+```console
+sudo apt remove quantum-espresso
+sudo apt autoremove --purge
+sudo rm -rf /opt/espresso
+```
diff --git a/docs/setup/install.md b/docs/setup/install.md
index 8a196cb2..1010ae47 100755
--- a/docs/setup/install.md
+++ b/docs/setup/install.md
@@ -29,6 +29,15 @@ sudo apt install --no-install-recommends \
     quantum-espresso
 ```
 
+:::tip
+
+In my GitHub repository [releases](https://github.com/pranabdas/espresso/releases),
+I provide pre-built binaries of Quantum ESPRESSO for Ubuntu 22.04 LTS. Please
+see GitHub [README](https://github.com/pranabdas/espresso#quantum-espresso-installer)
+for more details on how to use.
+
+:::
+
 If you want to compile from the source yourself, here are the installation steps
 for the Quantum Espresso version 7.2 in a Ubuntu (LTS 22.04) system. I will be
 compiling for single processor. First install the recommended libraries and