AGU25 Attendees: We're not naming names (cough Doug cough), but someone copied the wrong example order into their poster. If you would like to see the correct version, you can find it here:

$H_2$ Generation from Olvine, Ortho and Clino

Eleanor

Aqueous speciation modeling has historically focused on specific, well defined systems, and is ideal for laboratory settings or the study of a small number of real-world systems. Standard tools such as Geochemist's Workbench and EQ3/6 exist to fill this niche, alongside more recent additions such as the WORM Portal. However, existing tools are not ideal for the study of systems that are underspecified (e.g. have incomplete composition), have high degrees of uncertainty (e.g. imprecise characterization), or for understanding the broader equilibrium landscape of systems of interest (e.g. serpentinizing systems in general). Eleanor is a powerful open-source modeling framework based on EQ3/6 which fills this gap, providing the process and data orchestration features necessary to facilitate large-scale aqueous speciation modeling. Eleanor includes a standalone executable which accepts a problem specification in YAML, TOML or JSON format, samples fully-defined systems for speciation via the EQ3/6-based "kernel", validates the results, and stores the data in a Postgres. Eleanor’s modular design allows the user to swap the EQ3/6-based kernel with one of their own.

Dependencies

NOTE: We support both Linux and MacOS systems. You might have some luck using the Linux Subsystem for Windows, but we don't pretend to support it.

Eleanor requires python>=3.11 an two external runtime dependencies:

1. A slightly modified version of EQ3/6 found at 39alpha/eq3_6. Future versions will likely add other kernels based on other speciation tools, but EQ3/6 is what we have now.
2. A PostgreSQL server. This is honestly the most odious dependency to install, but the PostgreSQL docs are pretty good.

There are two dev dependencies required for installation:

1. gfortran - you should be able to install gfortran with your system's package manager (e.g. homebrew)
2. meson - I recommend installing this via uv. See Install below.

Install

I highly recommend using uv to install eleanor:

uv tool install meson # If you haven't installed meson already

uv tool install git+https://github.com/39alpha/eleanor