Compute statistics of AiiDA databases

This repository contains a script that computes statistics on AiiDA databases for reporting purposes.

The script is designed to work with AiiDA >= 0.10 (tested on aiida-core 0.10, 0.12.4, 1.0.0b6, 1.1.0, and 2.5.0), both under python 2 and 3.

Typical run times are 10-20s per 1 million nodes in your AiiDA database.

Usage

verdi run aiida_statistics.py

Set up pre-commit hooks for python2/3 compatibility, code formatting & linting.

pip install -e .[pre-commit]