Developer installation

Start by forking and cloning as it is done for ASE develoment. Let <repo> be the folder where you have cloned to (could be ~/gpaw). Then do:

$ cd <repo>
$ python3 setup.py build_ext

This will build two things:

  1. _gpaw.so: A shared library for serial calculations containing GPAW’s C-extension module. The module will be in <repo>/build/lib.<platform>-X.Y/.

    For example <platform> could be linux-x86_64, and X.Y could be 2.7.

  2. gpaw-python: A special Python interpreter for parallel calculations. The interpreter has GPAW’s C-code built in. The gpaw-python executable is located in <repo>/build/bin.<platform>-X.Y/.

    Note

    The gpaw-python interpreter will be built only if setup.py finds an mpicc compiler.

Prepend <repo> and <repo>/build/lib.<platform>-X.Y/ onto your PYTHONPATH and <repo>/tools:<repo>/build/bin.<platform>-X.Y onto PATH as described here: Environment variables.