How to install Quantum Espresso in Ubuntu 20.04

QUANTUMESPRESSO

Today I will write a script to install the Quantum Espresso latest version in Ubuntu 18.04/20.04.

Important Notes:

Always use LTS version of Ubuntu. Never use odd versions of Ubuntu (17.10, 19.10 or 21.10) for your research.
If your internet speed is not good then you better download the files from the given link manually. From terminal it may take time to download the files.
If you are using manual download method then please put the downloaded files in "qe" directory inside home directory.

#Step-0: Download the files

Installation script click here

Optional ( for slow internet download the below files )

Openmpi click here

Quantum espresso click here

Note:

in case of manual download please put a comment sign(#) before wget in step 2 & 3.

e. g. #wget -O ~/qe/openmpi-4.0.5.tar.gz https://download.open-mpi..........

and #wget -O ~/qe/qe6.tar.gz https://codeload.github.com/QEF/q-e/tar.gz/........

#Step-1: Prerequisite for Quantum Espresso

mkdir -p ~/qe/ # create a directory name qe inside home
sudo apt-get install -y gcc gfortran
sudo apt-get install -y build-essential
sudo apt-get install -y libfftw3-dev
sudo apt-get install -y libblas3
sudo apt-get install -y libblas-dev
sudo apt-get install -y liblapack-dev

#Step-2: Installation of openmpi-4.0.5

wget -O ~/qe/openmpi-4.0.5.tar.gz https://download.open-mpi.org/release/open-mpi/v4.0/openmpi-4.0.5.tar.gz
tar -xvzf ~/qe/openmpi-4.0.5.tar.gz -C ~/qe/
cd ~/qe/openmpi-4.0.5
./configure
make install
echo "export PATH=\$PATH:~/qe/openmpi-4.0.5/bin" >> .bashrc # inserting openmpi path in .bashrc file

#Step-3: Installation of QE-6.6

wget -O ~/qe/qe6.tar.gz https://codeload.github.com/QEF/q-e/tar.gz/qe-6.6
tar -xvzf ~/qe/qe6.tar.gz -C ~/qe/
mv ~/qe/q-e-qe-6.6 ~/qe/qe6.6
cd ~/qe/qe6.6
./configure --enable-parallel=no --enable-openmp=yes
make all
echo "export PATH=\$PATH:~/qe/qe6.6/bin" >> .bashrc

https://sairajdreams.blogspot.com/2020/09/how-to-install-qunatum-espresso-in.html