Building Octopus on Windows

Install of Octopus on Windows

In the following we look at how to install Octopus on a Windows, using Windows Subsystem for Linux (WSL). In the following, we assume that WSL2 is already installed. Else, run as administrator in PowerShell of Command prompt the command

wsl --install

Note that these instruction follow closely any Linux installation, so please refer to the linux installation for more advance options

Basic installation

In order to install Octopus, one needs first to install its dependencies. For a basic installation (without external libraries, no MPI nor GPU), please run first the following commands:

sudo apt install autoconf
sudo apt install libtool libtool-bin
sudo apt install g++
sudo apt install gfortran
sudo apt install make
sudo apt install libxc-dev
sudo apt install libfftw3-dev
sudo apt install libgsl-dev
sudo apt install libopenblas-dev

Then one can download Octopus (here Octopus 14.0 )

tar -xvf octopus-14.0.tar.gz
cd octopus-14.0

and configure it and install it as usual

sudo make install

As usual, a prefix could also be used to select the installation directory and “make check” can be used to check the correctness of the installation.