PYTHEOS
Overview
Pytheos provides a tool set for a wide range of tasks in high pressure science:
calculate pressure from a number of built-in pressure scales
convert pressure scales
propagate uncertainties properly using the uncertainties package
fit pressure-volume and pressure-volume-temperature data sets using the scipy and lmfit packages
fit with a wide range of different equations and their combinations
Installation
This section describes how to download pytheos from GitHub and install it using conda. The procedure is suitable for macOS and Linux.
Clone the GitHub repository
Clone the repository and enter the source directory:
git clone https://github.com/SHDShim/pytheos.git cd pytheos
Create a dedicated conda environment
Create a clean conda environment to avoid dependency conflicts:
conda create -n pytheos python=3.11 -y conda activate pytheos
Python version 3.9 or newer is recommended.
Install core dependencies
Install numerical and scientific dependencies from conda-forge:
conda install -c conda-forge numpy scipy matplotlib sympy pandas jupyter -y
If you plan to run the example notebooks, also install Jupyter support:
conda install -c conda-forge ipykernel nbconvert -y python -m ipykernel install --user --name pytheos
Install pytheos
From the repository root (where setup.py or pyproject.toml is located), install pytheos:
pip install .
Verify the installation:
python - <<EOF import pytheos print(pytheos.__version__) EOF
Test the installation
Run a simple test to confirm that core functionality works:
python - <<EOF from pytheos import bm3_p, vinet_p print(bm3_p(10.0, 160.0, 4.0, 4.0)) print(vinet_p(10.0, 160.0, 4.0)) EOF
Updating pytheos
To update pytheos to the latest version from GitHub:
cd pytheos git pull origin master pip install .
Clean removal
To completely remove pytheos and its conda environment:
conda deactivate conda remove -n pytheos --all
Contact
Please contact Dan Shim (shdshim@gmail.com) for bug reports, comments, and suggestions. I am happy to include new pressure scales or other pressure scales in pytheos as well.
Examples and Tutorials
The pytheos package includes examples in Jupyter Notebook (under the examples folder), which demonstrate a range of operations, calculations, and fittings you can do with pytheos. Pytheos is designed to support data analysis using Jupyter Notebook as well as python scripts.
Documentation is available at: https://shdshim.github.io/pytheos-docs/.
How to cite
S.-H. Shim (2017) Pytheos - a python tool set for equations of state. Zenodo. http://doi.org/10.5281/zenodo.802392
Metadata
Release files for pytheos 0.0.2
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Source distribution (sdist)
| File | Size | Uploaded | Provenance | |
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| pytheos-0.0.2.tar.gz | 30.6 kB | Without provenance | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| pytheos-0.0.2-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 75.3 kB
Release files / pytheos-0.0.2.tar.gz
| Download URL | pytheos-0.0.2.tar.gz |
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| Size | 30.6 kB |
| Tags | Source |
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| Tags | Python 3 |
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