PyEQ36

This package provides both compiled binaries of EQ3/6 and a thin Python wrapper for running those utilities.

Installation

$ pip install --user pyeq36

or

$ uv tool install pyeq36

Usage

You should have the primary EQ3/6 commands on your PATH, i.e.

$ eqpt
 usage: eqpt <data0>

Python Shims

The commands that are on you PATH are actually python shims in order to make the bundled wheels self-contained. However, this introduces a small runtime penalty (~30ms for the command above compared to ~500us when executing the binary directly). For everyday usage, this shouldn't really affect you. However, if you cannot stand paying that penalty, you can explictly add the path to the binaries to your PATH. For example:

$ export PATH="$(python -c 'import eq36.paths; print(eq36.paths.get_bin())'):$PATH"

Licensing

This repo includes the source files for EQ3/6 v8.0a, a software package for geochemical modeling developed by Thomas Wolery at Lawrence Livermore National Laboratory under the BSD 3-Clause License.

References

• Wolery, T. J., and USDOE. EQ3/6 A Software Package for Geochemical Modeling. Computer software. December 13, 2010. https://www.osti.gov//servlets/purl/1231666. doi:https://doi.org/10.11578/dc.20210416.44.
• Wolery, T. J. and R. L. Jarek. Software User's Manual EQ36, Version 8.0. U.S. Tech. Rep. 2003. Department of Energy, Office of Civilian Radioactive Waste Management, Office of Repository Development. 10813-UM-8.0-00.