=============== Getting started =============== ------------ Installation ------------ The easiest way to obtain ``pyprop8`` is using ``pip``, e.g.:: pip install pyprop8 Alternatively you can clone the `github repository `_, and then make sure that the directory ``src/pyprop8`` is included in your Python search path. ``pyprop8`` is designed to have minimal dependencies, so that it is easy to deploy. The main non-standard requirements are ``numpy`` and ``scipy``. ----- Usage ----- ``pyprop8`` is packaged in a number of submodules. Core computational routines are available by importing ``pyprop8``. In the examples given here, this will always be done as follows:: import pyprop8 as pp Some additional convenience functions are found in the module ``pyprop8.utils``. In this document we will always import these by name, e.g.:: from pyprop8.utils import rtf2xyz The package includes further modules that are used internally, but which are unlikely to be useful to end-users. For more details, read :ref:`walkthrough` and take a look at the :ref:`example`. ------------------------- Testing your installation ------------------------- To verify that your installation is working correctly, you may wish to run the tests that are distributed as part of the package. To access these, enter the following in a Python interpreter:: from pyprop8 import tests tests.tests() This will run and report a number of calculations.