Installation

Maybe somebody else installed Octopus for you. In that case, the files should be under some directory that we can call PREFIX/ , the executables in PREFIX/bin/ (e.g. if PREFIX/ =/usr/local/ , the main Octopus executable is then in /usr/local/bin/octopus ); the pseudopotential files that Octopus will need in PREFIX/share/octopus/PP/ , etc.

However, you may be unlucky and that is not the case. In the following we will try to help you with the still rather unfriendly task of compiling and installing the Octopus.

Downloading

Download the latest Octopus version here: Octopus 15.0 .

Building

Quick instructions

For the impatient, here is the quick-start:

$ tar xzf octopus-15.tar.gz
$ cd octopus-15
$ cmake -B ./build -G Ninja --install-prefix=<INSTALLATION_DIR>

$ cmake --build ./build
$ ctest --test-dir ./build -L short-run
$ cmake --install ./build

With CMake it is now possible to use any version directly from the Gitlab repository.

$ git clone https://gitlab.com/octopus-code/octopus
$ cd octopus
$ cmake -B ./build -G Ninja
...

This will probably not work, so before giving up, just read the following more detailled pages.

For more details on building Octopus using CMake see the CMake readme.

In case you still want to use Autotools, you can find more information Autotools readme.