Metadata-Version: 2.1
Name: aiida-seigrowth
Version: 0.0.7
Summary: AiiDA plugin to model SEI growth by population balance modeling
Home-page: UNKNOWN
Author: Luca Banetta
Author-email: luca.banetta@polito.it
License: MIT License
Description: [![Build Status][ci-badge]][ci-link]
        [![Coverage Status][cov-badge]][cov-link]
        [![Docs status][docs-badge]][docs-link]
        [![PyPI version][pypi-badge]][pypi-link]
        
        # aiida-seigrowth
        
         A plugin to Python3.8 to model SEI growth
        
        ## Repository contents
        
        * [`.github/`](.github/): [Github Actions](https://github.com/lucabanetta/aiida-seigrowth) configuration
          * [`ci.yml`](.github/workflows/ci.yml): runs tests, checks test coverage and builds documentation at every new commit
          * [`publish-on-pypi.yml`](.github/workflows/publish-on-pypi.yml): automatically deploy git tags to PyPI - just generate a [PyPI API token](https://pypi.org/help/#apitoken) for your PyPI account and add it to the `pypi_token` secret of your github repository
        * [`aiida_seigrowth/`](aiida_seigrowth/): The main source code of the plugin package
          * [`calculations.py`](aiida_seigrowth/calculations.py): A new `PbeSeiCalculation` `CalcJob` class
        * [`docs/`](docs/): A documentation template ready for publication on [Read the Docs](http://aiida-diff.readthedocs.io/en/latest/)
        * [`examples/`](examples/): An example of how to submit a calculation using this plugin
        * [`.gitignore`](.gitignore): Telling git which files to ignore
        * [`.pre-commit-config.yaml`](.pre-commit-config.yaml): Configuration of [pre-commit hooks](https://pre-commit.com/) that sanitize coding style and check for syntax errors. Enable via `pip install -e .[pre-commit] && pre-commit install`
        * [`.readthedocs.yml`](.readthedocs.yml): Configuration of documentation build for [Read the Docs](https://readthedocs.org/)
        * [`LICENSE`](LICENSE): License for your plugin
        * [`README.md`](README.md): This file
        * [`conftest.py`](conftest.py): Configuration of fixtures for [pytest](https://docs.pytest.org/en/latest/)
        * [`pyproject.toml`](setup.json): Python package metadata for registration on [PyPI](https://pypi.org/) and the [AiiDA plugin registry](https://aiidateam.github.io/aiida-registry/) (including entry points)
        
        ## Installation
        
         * Before proceeding with the installation make sure that you have the right version of Pybamm installed correctly using the developer version
         
         * Download the External Code folder and include the python script pb.py by modifying the script code.yml accordingly:
        ```
        
        ```
        
         * Include the code by using
        ```
        verdi code setup --config code.yml
        ```
        
         * Proceed to install the plugin 
        ```shell
        pip install aiida-seigrowth==0.0.4
        
        verdi quicksetup  # better to set up a new profile
        verdi plugin list aiida.calculations  # should now show your calclulation plugins
        ```
        ## Usage
        
        Here goes a complete example of how to submit a test calculation using this plugin.
        
        A quick demo of how to submit a calculation:
        
        * Activate the pybamm environment 
        ```
        $ source /absoulte/path/to/PyBaMM/.tox/dev/bin/activate
        ```
        * Proceed to launch the example
        ```shell
        verdi daemon start     # make sure the daemon is running
        cd examples
        ./example_01.py        # run test calculation
        verdi process list -a  # check record of calculation
        ```
        
        ## License
        
        MIT
        ## Contact
        
        luca.banetta@polito.it
        
        [ci-badge]: https://github.com/lucabanetta/aiida-seigrowth/workflows/ci/badge.svg?branch=master
        [ci-link]: https://github.com/lucabanetta/aiida-seigrowth/actions
        [cov-badge]: https://coveralls.io/repos/github/lucabanetta/aiida-seigrowth/badge.svg?branch=master
        [cov-link]: https://coveralls.io/github/lucabanetta/aiida-seigrowth?branch=master
        [docs-badge]: https://readthedocs.org/projects/aiida-seigrowth/badge
        [docs-link]: http://aiida-seigrowth.readthedocs.io/
        [pypi-badge]: https://badge.fury.io/py/aiida-seigrowth.svg
        [pypi-link]: https://badge.fury.io/py/aiida-seigrowth
        
Platform: UNKNOWN
Classifier: Programming Language :: Python :: 3.8
Classifier: Framework :: AiiDA
Requires-Python: >=3.8
Description-Content-Type: text/markdown
Provides-Extra: code_style
Provides-Extra: docs
