Installation

Requirements

Installation using pip

surface-pd is a Python 3 package and the stable version can be installed via pip.

$ pip install ***

Installation from source code

The package can also be built from surface-pd GitHub by git clone and setup:

$ git clone git@github.com:urban-group/surface-pd.git
$ cd surface-pd
$ python setup.py install

Additional requirements

Note

In order to use the enumeration functionalities provided in this package, the enum.x and makestr.x must be in the path. The detailed compilation steps are fully described at https://github.com/msg-byu/enumlib.

The compilation step can also make use of the pymatgen command line tool as follows (assume that the pymatgen has been installed successfully):

$ pmg config --install enumlib

Then put these in your PATH somewhere.

Installation test (This needs to further check)

To check whether the surface-pd package is successfully installed, you can import surface-pd within Python interpreter:

>>> import surface-pd

Or the following command can be executed (with an error in the unprepared state):

$ surface-pd