Metadata-Version: 2.0
Name: simtool
Version: 0.3.4
Summary: Functions for creating and running Simulation Tools
Home-page: https://github.com/hubzero/simtool
Maintainer: Steven Clark
Maintainer-email: smclark@sdsc.edu
License: MIT license
Keywords: simtool
Platform: UNKNOWN
Classifier: Development Status :: 2 - Pre-Alpha
Classifier: Intended Audience :: Developers
Classifier: License :: OSI Approved :: MIT License
Classifier: Natural Language :: English
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.4
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Requires-Dist: ipython
Requires-Dist: pint
Requires-Dist: numpy
Requires-Dist: papermill
Requires-Dist: jsonpickle
Requires-Dist: mendeleev
Requires-Dist: pillow
Requires-Dist: nteract-scrapbook
Requires-Dist: joblib

===============================
SimTool
===============================


.. image:: https://img.shields.io/pypi/v/simtool.svg
        :target: https://pypi.python.org/pypi/simtool

.. image:: https://img.shields.io/travis/hubzero/simtool.svg
        :target: https://travis-ci.org/hubzero/simtool

.. image:: https://readthedocs.org/projects/simtool/badge/?version=latest
        :target: https://simtool.readthedocs.io/en/latest/?badge=latest
        :alt: Documentation Status

Functions for creating and running Simulation Tools on the HUBzero_ platform lead by nanoHUB_

* Free software: MIT license
* Documentation: https://simtool.readthedocs.io.


Features
--------

* Easily declare and validate inputs and outputs of a simulation using Python and Jupyter notebooks. The entire simulation code can run inside a notebook or the notebook can be a wrapper that invokes complex external codes.

* Uses papermill_ to run parameterized notebooks, saving a new copy for each run.

* Results saved in a datastore (filesystem or web service based).  The datastore can be used for machine learning and statistical analysis.  Additionally, it functions as a cache.

* Can be containerized for remote execution.



Credits
---------

This package was created with Cookiecutter_ and the `audreyr/cookiecutter-pypackage`_ project template.

.. _HUBzero: https://help.hubzero.org
.. _nanoHUB: https://nanohub.org
.. _Cookiecutter: https://github.com/audreyr/cookiecutter
.. _`audreyr/cookiecutter-pypackage`: https://github.com/audreyr/cookiecutter-pypackage
.. _papermill: https://github.com/nteract/papermill


=======
History
=======

0.1.0 (2019-08-09)
------------------

* First release on PyPI.

0.2.0 (2020-03-04)
------------------

* Second release on PyPI.

0.2.1 (2020-03-08)
------------------

* Third release on PyPI.

0.2.2 (2020-03-08)
------------------

* PyPI release with updated documentation.

0.2.3 (2020-09-21)
------------------

* Improved search function to locate simTool notebook

0.3.1 (2021-06-14)
------------------

* Improved input data validation
* Added web service based cacheing support

0.3.2 (2021-09-22)
------------------

* Fixed for use outside of HUBzero environment

0.3.3 (2021-10-04)
------------------

* Improved automatic documentation generation
* Fixed Image value setting

0.3.4 (2022-05-10)
------------------

* Verify location of installed or published sim2L notebook
* Differentiate between missing path and wrong path type (file/directory)
* Stricter enforcement of param attributes
* Retain directory structure when saving results.
* Close open files to avoid file descriptor leakage
* Added magic functions needed to run notebooks in parallel (MPI)



