===============================
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)
0.3.5 (2022-05-16)
------------------
* Trap missing simToolSaveErrorOccurred and simToolAllOutputsSaved in result notebook
* Return list of input files whether inputs is specified as dictionary or YAML
* Add run preparation method used for web service application. Previously used external shell script
0.3.6 (2022-08-11)
------------------
* Extend utility functions for getting information about input files to use either parameter or simple dictionary description.
* Prepare for newer papermill versions
0.4.1 (2022-12-13)
------------------
* Added new parameter classes Tag and File.
* Use checksum and file size to compute sim2L run squidId.
* Improve papermill efficiency by reducing implicit I/O done during execution.
* Added support for sim2L metrics collection - record hit and miss by squidid.
* Added getParamsFromDictionary() and content() methods to standardize processing on INPUTS in sim2L notebooks.
0.4.2 (2025-01-13)
------------------
* Added updateParamsFromDictionary() methods to update params with input dictionary.
* Fixed issue with updating param units attribute.
* Updated dependency requirement versions.
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