IOData is a HORTON 3 module for input/output of quantum chemistry file formats. Documentation is here: https://iodata.readthedocs.io/en/latest/index.html

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

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

• Python >= 3.6: http://www.python.org/
• SciPy >= 0.11.0: http://www.scipy.org/
• NumPy >= 1.9.1: http://www.numpy.org/
• pytest >= 4.2.0: https://docs.pytest.org/
• Cython
• gcc/clang

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

See https://iodata.readthedocs.io/en/latest/install.html for full details.