Change Log

Version 0.4.0 (March 2026)

Major update to MAGEMinCalc. Please run ptt.update_MAGEMinCalc(). Change to how calculations in MAGEMin are called. Ability to specify a starting temperature (rather than a potential temperatue for melting calculations).

Version 0.3.22 (March 2026)

Update to MAGEMinCalc. Please run ptt.update_MAGEMinCalc() Fix to minor bug with equilibrium crystallization calcs in MAGEMinCalc.

Version 0.3.22 (March 2026)

Major update to the way path calculations are computed, allowing the results of partial calculations to be returned. Influences phase diagram and barometry calculations as well. Should also lead to a small speed improvement due to a move away from Pandas Code compatible with Pandas v3.

Version 0.3.21 (February 2026)

Update to harker plotting function to fix bug with individual models

Version 0.3.20 (January 2026)

Automatic detection of parallelization based on number of performance cores (rather than total logical processors). Added examples for saving results to ReadTheDocs.

Version 0.3.16 (January 2026)

Update to import messages and identification of potential memory issues when using julia

Version 0.3.12 (January 2026)

Relabelling of T_Liq to T_Liq_C in saturation pressure outputs

Version 0.3.11 (January 2026)

Fix the no solution issue for solubility calculations

Version 0.3.10 (January 2026)

Updated installation routine for julia packages

Version 0.3.9 (January 2026)

Replace zeros with nans in saturation pressure calculations

Version 0.3.8 (January 2026)

Implement of new installation routine for MAGEMinCalc via Victor.

Version 0.3.7 (January 2026)

Small update to PyPI distribution to fix error in distribution of v0.3.6

Version 0.3.6 (January 2026)

Added new plotting options for phase abundance (ptt.phase_mass_comparison())

Version 0.3.4 (January 2026)

Fix minor bug in harker plots Allow lists as inputs to most function key word arguments (e.g., P_bar etc.) Added Fe redox to labeling Add “Phase List” as a column header in outputs Ensure consistent coloration when making multiple plots of phase abundance.

Version 0.3.2 (December 2025)

Updated installation functions for more streamlined installation process.

Version 0.3.0 (December 2025)

Update to the documentation of all functions. Units now included for all outputs and consistency in outputs between alphaMELTS and MAGEMin calculations. Update MAGEMinCalc to v0.5.2 - use ptt.update_MAGEMinCalc() function.

Version 0.2.55 (November 2025)

Outputs between MELTS and MAGEMin calculations are now consistent and indicated with correct units. Update MAGEMinCalc to v0.5.1 - use ptt.update_MAGEMinCalc() function

Version 0.2.49 (October 2025)

In all notebooks ptt must now be imported as import petthermotools, import PetThermoTools is depreciated. Major update to MAGEMinCalc - please use v0.5.0 and MAGEMin_C v2.0.6. Phase Diagram code has better optimization and should have less calculation time More plotting options added.

Version 0.2.40 (August 2025)

Adding melting calculations to MAGEMinCalc extension - works with MAGEMin_C up to v1.9.6.

Version 0.2.39 (July 2025)

Fix to minor bugs influencing crystallization calculations. Changes to the name of functions used for barometry calculations. Please ensure you’re updated to MAGEMinCalc v0.4.3 (see instructions) if running MAGEMin calculations.

Version 0.2.32 (March 28th 2025)

Changes to the underlying code and associated MAGEMinCalc library to improve the ease of integration between the packages. Adiabatic decompression melting in MAGEMinCalc is temporarily turn off. MAGEMinCalc v0.4.1 https://github.com/gleesonm1/MAGEMinCalc/archive/refs/tags/v0.4.1.zip

Version 0.2.30 (January 16th 2025)

Updates to MAGEMinCalc that allow greater integration with PetThermoTools and reduce the dependency on the pyMAGEMINcalc package. Fixes to minor bugs included output of single equilibrium calculations. MAGEMin_C v1.6.9 https://github.com/ComputationalThermodynamics/MAGEMin_C.jl/archive/refs/tags/v1.6.9.zip MAGEMinCalc v0.3.8 https://github.com/gleesonm1/MAGEMinCalc/archive/refs/tags/v0.3.8.zip

Version 0.2.25 (November 28th 2024)

New ‘supCalc’ function added to work as a supplemental calculator Automatically adds alphaMELTS for Python files to path if working in VICTOR. Fixed other minor bugs. pyMAGEMINcalc v0.0.8 https://github.com/gleesonm1/pyMAGEMINcalc/archive/refs/tags/v0.0.8.zip MAGEMinCalc v0.3.4 https://github.com/gleesonm1/MAGEMinCalc/archive/refs/tags/v0.3.4.zip MAGEMin_C v1.3.5 (tested up to v1.5.9) https://github.com/ComputationalThermodynamics/MAGEMin_C.jl/archive/refs/tags/v1.3.5.zip

Version 0.2.20 (October 20th 2024)

Update to equilibrate_multi function to allow calculations with Holland et al. (2018) thermodynamic model. Input code on ptt import to determine whether alphaMELTS files are in the Python path. pyMAGEMINcalc v0.0.8 https://github.com/gleesonm1/pyMAGEMINcalc/archive/refs/tags/v0.0.8.zip MAGEMinCalc v0.3.4 https://github.com/gleesonm1/MAGEMinCalc/archive/refs/tags/v0.3.4.zip MAGEMin_C v1.3.5 (tested up to v1.5.0) https://github.com/ComputationalThermodynamics/MAGEMin_C.jl/archive/refs/tags/v1.3.5.zip

Version 0.2.18 (October 10th 2024)

Updated installation guide for PetThermoTools with admin issues noted. Update to equilibrate_multi to allow users to ‘turn off’ solid phases as requested. Other minor bugs fixed.

Version 0.2.13 (September 17th 2024)

New installation guide for PetThermoTools and alphaMELTS for Python added. equilibrate_multi now only returns one variable - a DataFrame containing all information about the calculation including the affinity of undersaturated phases. A new approach to solving volatile saturation pressures has been added but has not been thoroughly tested. Release for alphaMELTS workshop at GSA connects 2024. pyMAGEMINcalc v0.0.7 https://github.com/gleesonm1/pyMAGEMINcalc/archive/refs/tags/v0.0.7.zip MAGEMinCalc v0.3.2 https://github.com/gleesonm1/MAGEMinCalc/archive/refs/tags/v0.3.2.zip MAGEMin_C v1.3.5 (tested up to v1.5.0) https://github.com/ComputationalThermodynamics/MAGEMin_C.jl/archive/refs/tags/v1.3.5.zip

Version 0.2.5 (January 11th, 2024)

Liquidus code updated to accept single (integer or float) inputs for initial temperature guess. Path/crysatllization and degassing codes now return cumulate sum of fractionated phases - e.g., Results[‘Mass’][‘olivine1_cumsum’]

Version 0.2.4 (January 9th, 2024)

Update to crystallization and decompression codes so that the output DataFrames are always the same length.

Version 0.2.1 (November 22nd, 2023)

Repository name updated to PetThermoTools (Petrology Thermodynamics Tools). Change-log and available functions linked to ReadTheDocs. pyMAGEMINcalc, MAGEMinCalc, and MAGEMin_C versions are as listed above.

Version 0.1.29 (November 10th, 2023)

Updated function name for mineral barometry code (‘find_mineral_cosaturation’). Added schematic showing current available functions to ReadTheDocs.

For full functionality when using MAGEMin calculations, make sure PetThermoTools v0.1.29 is installed: pyMAGEMINcalc v0.0.7 https://github.com/gleesonm1/pyMAGEMINcalc/archive/refs/tags/v0.0.7.zip MAGEMinCalc v0.2.22 https://github.com/gleesonm1/MAGEMinCalc/archive/refs/tags/v0.2.22.zip MAGEMin_C v1.3.5 https://github.com/ComputationalThermodynamics/MAGEMin_C.jl/archive/refs/tags/v1.3.5.zip

Version 0.1.28 (October 11th, 2023)

Added adiabatic decompression melting function

Version 0.1.25 (August 8th, 2023)

Added both “comp” and “bulk” keyword arguments to multi_path for consistency with prior versions.