thermobar 1.0.67__tar.gz

thermobar-1.0.67/LICENSE.txt

@@ -0,0 +1,20 @@
+LICENSE
+
+Copyright (c) [2025] [Penny Wieser]
+
+Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the “Software”), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, subject to the following conditions:
+
+The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.
+
+Citing in Main Text
+
+If you use Thermobar in your study, you must cite it in the main text of your paper. This code took me years to write and presumably is saving you a lot of time. Thus, it deserves to actually recieve a citation, vs just describing its use in the supplement. If I do not get credit for my open source work that means something for promotion/tenure, I will not be able to continue working and building these packages. If you only cite it in the supplement, you must pay for your use of Thermobar, at the rate of $500/study. This will support my spare time to maintain these packages. 
+
+Special Clause on GUI Usage
+
+Use of Thermobar in graphical user interfaces (GUIs), including but not limited to applications that provide point-and-click access to Thermobar’s functions, requires prior written permission from the author.
+
+This requirement exists because of a broader issue in the geoscience community: tools that wrap or interface with core scientific software often receive the bulk of citations, while foundational packages like Thermobar go unrecognized—particularly when journals impose citation limits. Thermobar represents a significant and ongoing labor investment. Responsible citation and acknowledgment are necessary to support its continued development and maintenance.
+
+THE SOFTWARE IS PROVIDED “AS IS”, WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.
+

thermobar-1.0.67/PKG-INFO

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+Metadata-Version: 2.4
+Name: thermobar
+Version: 1.0.67
+Summary: Thermobar
+Home-page: https://github.com/PennyWieser/Thermobar
+Author: Penny Wieser et al. 
+Author-email: penny.wieser@gmail.com
+License: MIT (with GUI use clause, see LICENSE file)
+Classifier: Programming Language :: Python :: 3
+Classifier: Operating System :: OS Independent
+Requires-Python: >=3.9
+Description-Content-Type: text/markdown
+License-File: LICENSE.txt
+Requires-Dist: pandas
+Requires-Dist: numpy
+Requires-Dist: python-ternary
+Requires-Dist: matplotlib
+Requires-Dist: scikit-learn>=1.3
+Requires-Dist: scipy
+Requires-Dist: tqdm
+Requires-Dist: statsmodels
+Requires-Dist: openpyxl
+Requires-Dist: pathlib
+Dynamic: author
+Dynamic: author-email
+Dynamic: classifier
+Dynamic: description
+Dynamic: description-content-type
+Dynamic: home-page
+Dynamic: license
+Dynamic: license-file
+Dynamic: requires-dist
+Dynamic: requires-python
+Dynamic: summary
+
+[![PyPI](https://badgen.net/pypi/v/Thermobar)](https://pypi.org/project/Thermobar/)
+[![Build Status](https://github.com/PennyWieser/Thermobar/actions/workflows/main.yml/badge.svg?branch=main)](https://github.com/PennyWieser/Thermobar/actions/workflows/main.yml)
+[![codecov](https://codecov.io/gh/PennyWieser/Thermobar/branch/main/graph/badge.svg)](https://codecov.io/gh/PennyWieser/Thermobar/branch/main)
+
+Thermobar is a python tool for thermobarometry, chemometry and mineral equilibrium.
+Thermobar allows users to easily choose between more than 100 popular parameterizations involving liquid, olivine-liquid, olivine-spinel, 
+pyroxene only, pyroxene-liquid, two pyroxene, feldspar-liquid, two feldspar, amphibole and amphibole-liquid, garnet and biotite equilibrium. 
+
+It can be downloaded via pip, on Github (you are here!), and extensive documentation and 
+example videos and Jupyter Notebooks are available at https://thermobar.readthedocs.io/en/latest/index.html
+
+If you want to use Machine learning models, you will need to pip install a separate package (the pkl and onnx files are too big for one release). Please see the instructions here:
+https://thermobar.readthedocs.io/en/latest/Examples/Cpx_Cpx_Liq_Thermobarometry/MachineLearning_Cpx_Liq_Thermobarometry.html
+
+
+Find more information in Volcanica - and please make sure you cite this work!!!
+https://www.jvolcanica.org/ojs/index.php/volcanica/article/view/161
+________________________________
+Want your model in Thermobar?
+________________________________
+Getting your model into Thermobar will hopefully help to increase usage. 
+I am happy to help you with this. You will need to supply me with your scripts or excel spreadsheet showing how the model works, 
+your calibration dataset, and some example calculations for benchmarking. 
+
+For Machine Learning models, please see the read the docs page. 

thermobar-1.0.67/README.md

@@ -0,0 +1,25 @@
+[![PyPI](https://badgen.net/pypi/v/Thermobar)](https://pypi.org/project/Thermobar/)
+[![Build Status](https://github.com/PennyWieser/Thermobar/actions/workflows/main.yml/badge.svg?branch=main)](https://github.com/PennyWieser/Thermobar/actions/workflows/main.yml)
+[![codecov](https://codecov.io/gh/PennyWieser/Thermobar/branch/main/graph/badge.svg)](https://codecov.io/gh/PennyWieser/Thermobar/branch/main)
+
+Thermobar is a python tool for thermobarometry, chemometry and mineral equilibrium.
+Thermobar allows users to easily choose between more than 100 popular parameterizations involving liquid, olivine-liquid, olivine-spinel, 
+pyroxene only, pyroxene-liquid, two pyroxene, feldspar-liquid, two feldspar, amphibole and amphibole-liquid, garnet and biotite equilibrium. 
+
+It can be downloaded via pip, on Github (you are here!), and extensive documentation and 
+example videos and Jupyter Notebooks are available at https://thermobar.readthedocs.io/en/latest/index.html
+
+If you want to use Machine learning models, you will need to pip install a separate package (the pkl and onnx files are too big for one release). Please see the instructions here:
+https://thermobar.readthedocs.io/en/latest/Examples/Cpx_Cpx_Liq_Thermobarometry/MachineLearning_Cpx_Liq_Thermobarometry.html
+
+
+Find more information in Volcanica - and please make sure you cite this work!!!
+https://www.jvolcanica.org/ojs/index.php/volcanica/article/view/161
+________________________________
+Want your model in Thermobar?
+________________________________
+Getting your model into Thermobar will hopefully help to increase usage. 
+I am happy to help you with this. You will need to supply me with your scripts or excel spreadsheet showing how the model works, 
+your calibration dataset, and some example calculations for benchmarking. 
+
+For Machine Learning models, please see the read the docs page. 

thermobar-1.0.67/pyproject.toml

@@ -0,0 +1,3 @@
+[build-system]
+requires = ["setuptools>=68", "wheel"]
+build-backend = "setuptools.build_meta"

thermobar-1.0.67/setup.cfg

@@ -0,0 +1,15 @@
+[coverage:paths]
+source = 
+	src
+	*/site-packages
+
+[coverage:run]
+branch = true
+source = 
+	Unit_tests
+	Thermobar
+
+[egg_info]
+tag_build = 
+tag_date = 0
+

thermobar-1.0.67/setup.py

@@ -0,0 +1,55 @@
+
+#!/usr/bin/env python
+from setuptools import setup, find_packages
+from os import path
+
+
+this_directory = path.abspath(path.dirname(__file__))
+
+with open(path.join(this_directory, 'src', 'Thermobar', '_version.py'), encoding='utf-8') as f:
+    exec(f.read())
+
+with open(path.join(this_directory, 'README.md'), encoding='utf-8') as f:
+    long_description = f.read()
+
+
+setup(
+    name="thermobar",
+    version=__version__,
+    author="Penny Wieser et al. ",
+    author_email="penny.wieser@gmail.com",
+    description="Thermobar",
+    long_description=long_description,
+    long_description_content_type="text/markdown",
+    url="https://github.com/PennyWieser/Thermobar",
+    license="MIT (with GUI use clause, see LICENSE file)",  # <-- Add this line
+    package_dir={'': 'src'},  # Optional
+    packages=find_packages(where='src'),
+    package_data={
+        # Assuming 'Thermobar' is the package name
+        # Specify both CSVs in the 'Cali_Datasets_CSVs' folder and pickle files
+        "Thermobar": ["*.csv", "*.pkl"],
+    },
+
+    install_requires=[
+            'pandas',
+            'numpy',
+            'python-ternary',
+            'matplotlib',
+            'scikit-learn>=1.3',
+            'scipy',
+            'tqdm',
+            'statsmodels',
+            'openpyxl',
+            'pathlib'
+            ],
+            # PyPI doesnt allow this :(
+    # extras_require={
+    #     'onnx': ["Thermobar_onnx @ https://github.com/PennyWieser/Thermobar_onnx/archive/refs/tags/0.0.1dev.zip"]
+    # },
+    classifiers=[
+        "Programming Language :: Python :: 3",
+        "Operating System :: OS Independent",
+    ],
+    python_requires='>=3.9',
+)

thermobar-1.0.67/src/Thermobar/Brugman_2019_Cali_Cpx.csv

@@ -0,0 +1,65 @@
+,SiO2_Cpx,TiO2_Cpx,Al2O3_Cpx,FeOt_Cpx,MnO_Cpx,MgO_Cpx,CaO_Cpx,Na2O_Cpx,K2O_Cpx,Cr2O3_Cpx,Sample_ID_Cpx
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