minplascalc 0.7.0__tar.gz → 1.0.0__tar.gz

minplascalc-1.0.0/.gitignore

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+docs/sg_execution_times.rst
+examples/H2O.json
+examples/O+.json
+examples/SiO.json
+
+uv.lock
+coverage/coverage.svg

minplascalc-1.0.0/PKG-INFO

@@ -0,0 +1,116 @@
+Metadata-Version: 2.4
+Name: minplascalc
+Version: 1.0.0
+Summary: A simple set of tools for doing calculations of thermal plasma compositions relevant to metallurgical problems using Python 3
+Project-URL: Homepage, https://github.com/quinnreynolds/minplascalc
+Author-email: Quinn Reynolds <quinnr@mintek.co.za>
+License: GPLv3
+License-File: LICENSE
+Keywords: composition,gibbs,plasma
+Classifier: Development Status :: 3 - Alpha
+Classifier: Intended Audience :: Science/Research
+Classifier: License :: OSI Approved :: GNU General Public License v3 (GPLv3)
+Classifier: Programming Language :: Python :: 3.11
+Classifier: Programming Language :: Python :: 3.12
+Classifier: Programming Language :: Python :: 3.13
+Classifier: Topic :: Scientific/Engineering :: Chemistry
+Classifier: Topic :: Scientific/Engineering :: Physics
+Requires-Python: >=3.11
+Requires-Dist: numpy
+Requires-Dist: scipy
+Description-Content-Type: text/x-rst
+
+README
+======
+
+.. image:: https://github.com/quinnreynolds/minplascalc/actions/workflows/on-push.yml/badge.svg
+    :target: https://github.com/quinnreynolds/minplascalc/actions/workflows/on-push.yml/badge.svg
+
+.. image:: https://raw.githubusercontent.com/quinnreynolds/minplascalc/coverage/coverage.svg?raw=true
+    :target: https://raw.githubusercontent.com/quinnreynolds/minplascalc/coverage/coverage.svg?raw=true
+
+
+A simple set of tools in Python 3 for doing calculations of thermal plasma
+compositions relevant to metallurgical problems.
+
+*Quinn Reynolds, MINTEK Pyrometallurgy Division, 2018-present*
+
+
+What is this repository for?
+----------------------------
+
+* You're here because you want to calculate plasma compositions,
+  thermodynamics, and physical and radiative properties. This package will
+  do most of those things for LTE plasmas, to varying degrees of fidelity.
+* Version `v1.0.0 <https://github.com/quinnreynolds/minplascalc/releases/latest>`_.
+
+
+Quick start
+-----------
+
+* Simply install the package with ``pip install minplascalc``.
+* You should now be able to run the example scripts in the ``examples``
+  directory.
+* The package is still in development, so expect bugs and changes.
+
+
+Documentation
+-------------
+
+A full set of documentation is available online at
+`https://quinnreynolds.github.io/minplascalc/ <https://quinnreynolds.github.io/minplascalc/>`_.
+
+
+Workflow for developers/contributors
+------------------------------------
+
+* First, clone the repository. You'll get the package and some test drivers.
+* Since we are using `uv <https://docs.astral.sh/uv/>`_, install it
+  by following `instructions on their website <https://docs.astral.sh/uv/getting-started/installation/>`_.
+* Run ``uv sync --python 3.13`` to create a virtual environment at ``.venv``,
+  with ``python 3.13`` and all the necessary dependencies.
+* To test if the package is working, run ``uv run pytest``. All tests should pass.
+
+Next time, you just need to activate the virtual environment with
+
+  * (macOs and Linux) ``source .venv/bin/activate``.
+
+  * (Windows) ``.venv\Scripts\activate``.
+
+
+Before pushing to GitHub, run the following commands:
+
+1. Update dependencies with ``just update-env``.
+2. Run quality assurance checks (code linting) checks with ``just qa``.
+3. Run type checks with ``just type-check``.
+4. Run unit tests with ``just tests``.
+5. Run unit tests with coverage and generate a badge with ``just tests-cov``.
+6. Build the documentation with ``just build-docs``.
+
+
+Contribution guidelines
+-----------------------
+
+* Writing tests: TBC
+* Code review: TBC
+* Other guidelines: TBC
+
+
+Who do I talk to?
+-----------------
+
+* quinnr@mintek.co.za
+
+
+References
+----------
+
+* List of references are available at `the reference section <https://quinnreynolds.github.io/minplascalc/references/_bibliography.html>`_.
+* To add a reference, add a new entry to the ``docs/references/_bibliography.rst`` file.
+
+
+Science behind the code
+-----------------------
+
+A brief overview of the science behind the code is available at
+`the Background/Theory section <https://quinnreynolds.github.io/minplascalc/theory/Background_Theory.html>`_.

minplascalc-1.0.0/README.rst

@@ -0,0 +1,94 @@
+README
+======
+
+.. image:: https://github.com/quinnreynolds/minplascalc/actions/workflows/on-push.yml/badge.svg
+    :target: https://github.com/quinnreynolds/minplascalc/actions/workflows/on-push.yml/badge.svg
+
+.. image:: https://raw.githubusercontent.com/quinnreynolds/minplascalc/coverage/coverage.svg?raw=true
+    :target: https://raw.githubusercontent.com/quinnreynolds/minplascalc/coverage/coverage.svg?raw=true
+
+
+A simple set of tools in Python 3 for doing calculations of thermal plasma
+compositions relevant to metallurgical problems.
+
+*Quinn Reynolds, MINTEK Pyrometallurgy Division, 2018-present*
+
+
+What is this repository for?
+----------------------------
+
+* You're here because you want to calculate plasma compositions,
+  thermodynamics, and physical and radiative properties. This package will
+  do most of those things for LTE plasmas, to varying degrees of fidelity.
+* Version `v1.0.0 <https://github.com/quinnreynolds/minplascalc/releases/latest>`_.
+
+
+Quick start
+-----------
+
+* Simply install the package with ``pip install minplascalc``.
+* You should now be able to run the example scripts in the ``examples``
+  directory.
+* The package is still in development, so expect bugs and changes.
+
+
+Documentation
+-------------
+
+A full set of documentation is available online at
+`https://quinnreynolds.github.io/minplascalc/ <https://quinnreynolds.github.io/minplascalc/>`_.
+
+
+Workflow for developers/contributors
+------------------------------------
+
+* First, clone the repository. You'll get the package and some test drivers.
+* Since we are using `uv <https://docs.astral.sh/uv/>`_, install it
+  by following `instructions on their website <https://docs.astral.sh/uv/getting-started/installation/>`_.
+* Run ``uv sync --python 3.13`` to create a virtual environment at ``.venv``,
+  with ``python 3.13`` and all the necessary dependencies.
+* To test if the package is working, run ``uv run pytest``. All tests should pass.
+
+Next time, you just need to activate the virtual environment with
+
+  * (macOs and Linux) ``source .venv/bin/activate``.
+
+  * (Windows) ``.venv\Scripts\activate``.
+
+
+Before pushing to GitHub, run the following commands:
+
+1. Update dependencies with ``just update-env``.
+2. Run quality assurance checks (code linting) checks with ``just qa``.
+3. Run type checks with ``just type-check``.
+4. Run unit tests with ``just tests``.
+5. Run unit tests with coverage and generate a badge with ``just tests-cov``.
+6. Build the documentation with ``just build-docs``.
+
+
+Contribution guidelines
+-----------------------
+
+* Writing tests: TBC
+* Code review: TBC
+* Other guidelines: TBC
+
+
+Who do I talk to?
+-----------------
+
+* quinnr@mintek.co.za
+
+
+References
+----------
+
+* List of references are available at `the reference section <https://quinnreynolds.github.io/minplascalc/references/_bibliography.html>`_.
+* To add a reference, add a new entry to the ``docs/references/_bibliography.rst`` file.
+
+
+Science behind the code
+-----------------------
+
+A brief overview of the science behind the code is available at
+`the Background/Theory section <https://quinnreynolds.github.io/minplascalc/theory/Background_Theory.html>`_.