IOData is distributed under GPL License version 3 (GPLv3).

The following dependencies will be necessary for IOData to build properly,

• Python >= 2.7, >= 3.5: http://www.python.org/
• SciPy >= 0.11.0: http://www.scipy.org/
• NumPy >= 1.9.1: http://www.numpy.org/
• Nosetests >= 1.1.2: http://readthedocs.org/docs/nose/en/latest/

To install IOData using a conda environment:

• Install miniconda: https://conda.io/miniconda.html
• OR anaconda: https://www.anaconda.com/download

$ conda create -n iodata_env
$ source activate iodata_env
(iodata_env) $ conda install -c theochem iodata

Alternatively, to install IOData:

$ python ./setup install --user

Requires nosetests to be installed.

To run tests using the iodata_env conda environment:

(iodata_env) $ conda install nose
(iodata_env) $ nosetests -v iodata

Alternatively, to run tests:

$ nosetests -v iodata