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Matscipy

This repository contains generic Python materials science tools built around the Atomic Simulation Environment (ASE).

Build status

Build Status

Compilation/installation follows the standard distutils route:

python setup.py build
python setup.py install

If building on Mac OS X, we recommend you use the GCC toolchain

CC=gcc CXX=g++ python setup.py build

If you have a recent version of gcc you may also need to set

CFLAGS="-std=c99"

Documentation

Sphinx-generated documentation for the project can be found here.

Dependencies

The package requires :

Optional packages :