geonormpy 0.1.1

Python engine for CIPW normative mineralogy and igneous geochemistry workflows.

GeoNormPy

GeoNormPy is a Python engine for estimating CIPW normative mineralogy from whole-rock geochemical data. The project is oriented toward igneous petrology workflows and reproducible geochemical data processing.

Features

• Sequential CIPW calculation with a numerically robust approach.
• Iron handling based on FeOT or explicit FeO/Fe2O3 speciation.
• Diagnostics for silica saturation and alumina state.
• Single-sample and batch processing with pandas.
• Automated test suite with pytest.

Installation

git clone https://github.com/jordan-zav/GeoNormPy.git
cd GeoNormPy
pip install -e .

Quick Start

from geonormpy.norms.cipw import cipw

sample = {
    "SiO2": 72.5,
    "Al2O3": 13.5,
    "FeOT": 2.5,
    "MgO": 0.5,
    "CaO": 1.8,
    "Na2O": 3.4,
    "K2O": 4.0,
}

result = cipw(sample)
print(result["minerals_wtpercent"])
print(result["flags"])

Batch Processing

python run_GeoNormPy.py

The script reads data/test_data.csv and generates data/normative_results.csv.

Command-Line Interface

GeoNormPy includes a command-line interface so users can inspect the supported schema, create templates, validate input files, and run workflows.

geonormpy --help
geonormpy schema
geonormpy validate --input data/test_data.csv
geonormpy make-template
geonormpy make-config
geonormpy run --config config/workflow.yaml

Supported Input Columns

Optional ID columns: Sample_ID, Notes

Supported oxide columns: SiO2, TiO2, Al2O3, Fe2O3, FeO, FeOT, MnO, MgO, CaO, Na2O, K2O, P2O5, ZrO2, Cr2O3, CO2, S, F, Cl, SO3

Standard Output Columns

Diagnostic columns: silica_saturation, alumina_state, mass_balance_error, interpretive_flag, calc_error

Normative mineral columns: Q, Cor, Or, Ab, An, Le, Ne, Kp, Ac, Di, Hd, Wo, En, Fs, Fo, Fa, Mt, Hm, Ilm, Cm, Ru, Tn, Z, Ap, Cc, Py, Fl, Hl, Th, ns, ks

Development

pytest -q

Academic Context

This software was developed by Jordan Angel Luciano Zavaleta Reyes in the context of applied research in igneous petrology and computational geochemistry.

How to Cite

If you use GeoNormPy in a thesis, article, or technical report, please refer to the CITATION.cff file.

License

This project is distributed under the MIT License.