diff --git a/.buildinfo b/.buildinfo index b05f151..9682f23 100644 --- a/.buildinfo +++ b/.buildinfo @@ -1,4 +1,4 @@ # Sphinx build info version 1 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done. -config: b7d8bdc516606dcd49bb3850118ae3aa +config: 3b4154cdc7ce060e193d2e081825fef7 tags: 645f666f9bcd5a90fca523b33c5a78b7 diff --git a/Tutorial/01_Getting_started_with_anypytools.html b/Tutorial/01_Getting_started_with_anypytools.html index 4c25b14..ec2d111 100644 --- a/Tutorial/01_Getting_started_with_anypytools.html +++ b/Tutorial/01_Getting_started_with_anypytools.html @@ -7,7 +7,7 @@ - Getting Started with AnyPyTools — AnyPyTools 1.7.1 documentation + Getting Started with AnyPyTools — AnyPyTools 1.7.2 documentation @@ -18,6 +18,7 @@ + @@ -64,7 +65,7 @@

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    Source code for anypytools.abcutils

             # Extend the folderlist if search_subdir is given
             if isinstance(search_subdirs, str) and isinstance(folderlist[0], str):
                 folderlist = sum([getsubdirs(d, search_subdirs) for d in folderlist], [])
    +            if len(folderlist) == 0:
    +                raise ValueError(
    +                    f"No subdirectories found, which match the file:{search_subdirs}"
    +                )
             # Check for explicit logfile
             if not isinstance(logfile, (type(None), str, os.PathLike)):
                 raise ValueError("logfile must be a str or path")
    @@ -1048,7 +1053,7 @@ 

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    Source code for anypytools.pytest_plugin

     import pytest
     
     
    -from _pytest.tmpdir import TempdirFactory, TempPathFactory
    +from pytest import TempdirFactory, TempPathFactory
     
     from anypytools import AnyPyProcess, macro_commands
     from anypytools.tools import (
    @@ -671,7 +672,7 @@ 

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    diff --git a/_modules/index.html b/_modules/index.html index c14fdbf..92c8651 100644 --- a/_modules/index.html +++ b/_modules/index.html @@ -7,7 +7,7 @@ - Overview: module code — AnyPyTools 1.7.1 documentation + Overview: module code — AnyPyTools 1.7.2 documentation @@ -18,6 +18,7 @@ + @@ -54,7 +55,7 @@

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    diff --git a/_sources/api/AnyMacro.md.txt b/_sources/api/AnyMacro.md.txt new file mode 100644 index 0000000..27c4cd6 --- /dev/null +++ b/_sources/api/AnyMacro.md.txt @@ -0,0 +1,16 @@ +# anypytools.AnyMacro + +See {doc}`macro_commands` for a list of classes that generate macro commands. + +```{eval-rst} +.. autoclass:: anypytools.AnyMacro + :members: + :noindex: + + + + + + + +``` diff --git a/_sources/api/AnyMacro.rst.txt b/_sources/api/AnyMacro.rst.txt deleted file mode 100644 index 50642e8..0000000 --- a/_sources/api/AnyMacro.rst.txt +++ /dev/null @@ -1,17 +0,0 @@ -anypytools.AnyMacro -==================== - -See :doc:`macro_commands` for a list of classes that generate macro commands. - - -.. autoclass:: anypytools.AnyMacro - :members: - :noindex: - - - - - - - - diff --git a/dev/_sources/api/AnyPyProcess.rst.txt b/_sources/api/AnyPyProcess.md.txt similarity index 54% rename from dev/_sources/api/AnyPyProcess.rst.txt rename to _sources/api/AnyPyProcess.md.txt index 656b372..3e960d1 100644 --- a/dev/_sources/api/AnyPyProcess.rst.txt +++ b/_sources/api/AnyPyProcess.md.txt @@ -1,14 +1,12 @@ +# anypytools.AnyPyProcess - -anypytools.AnyPyProcess -~~~~~~~~~~~~~~~~~~~~~~~ - +```{eval-rst} .. autoclass:: anypytools.AnyPyProcess :members: :noindex: - - - + + +``` diff --git a/dev/_sources/api/abcutils.rst.txt b/_sources/api/abcutils.md.txt similarity index 61% rename from dev/_sources/api/abcutils.rst.txt rename to _sources/api/abcutils.md.txt index 75a4462..60482e1 100644 --- a/dev/_sources/api/abcutils.rst.txt +++ b/_sources/api/abcutils.md.txt @@ -1,9 +1,9 @@ -anypytools.abcutils -==================== +# anypytools.abcutils +```{eval-rst} .. automodule:: anypytools.abcutils :members: :undoc-members: - +``` diff --git a/_sources/api/anydatah5_generator.md.txt b/_sources/api/anydatah5_generator.md.txt new file mode 100644 index 0000000..a09ba69 --- /dev/null +++ b/_sources/api/anydatah5_generator.md.txt @@ -0,0 +1,6 @@ +# anypytools.datautils.anydatah5_generator + +```{eval-rst} +.. autofunction:: anypytools.datautils.anydatah5_generator + :noindex: +``` diff --git a/_sources/api/anydatah5_generator.rst.txt b/_sources/api/anydatah5_generator.rst.txt deleted file mode 100644 index 7d7b287..0000000 --- a/_sources/api/anydatah5_generator.rst.txt +++ /dev/null @@ -1,6 +0,0 @@ -anypytools.datautils.anydatah5_generator -======================================== - -.. autofunction:: anypytools.datautils.anydatah5_generator - :noindex: - diff --git a/_sources/api/anyoutputfile_generator.md.txt b/_sources/api/anyoutputfile_generator.md.txt new file mode 100644 index 0000000..2578909 --- /dev/null +++ b/_sources/api/anyoutputfile_generator.md.txt @@ -0,0 +1,6 @@ +# anypytools.datautils.anyoutputfile_generator + +```{eval-rst} +.. autofunction:: anypytools.datautils.anyoutputfile_generator + :noindex: +``` diff --git a/_sources/api/anyoutputfile_generator.rst.txt b/_sources/api/anyoutputfile_generator.rst.txt deleted file mode 100644 index b0cfaef..0000000 --- a/_sources/api/anyoutputfile_generator.rst.txt +++ /dev/null @@ -1,6 +0,0 @@ -anypytools.datautils.anyoutputfile_generator -============================================ - -.. autofunction:: anypytools.datautils.anyoutputfile_generator - :noindex: - diff --git a/dev/_sources/api/datautils.rst.txt b/_sources/api/datautils.md.txt similarity index 61% rename from dev/_sources/api/datautils.rst.txt rename to _sources/api/datautils.md.txt index c077433..e7a7dc1 100644 --- a/dev/_sources/api/datautils.rst.txt +++ b/_sources/api/datautils.md.txt @@ -1,9 +1,9 @@ -anypytools.datautils -==================== +# anypytools.datautils +```{eval-rst} .. automodule:: anypytools.datautils :members: :undoc-members: - +``` diff --git a/dev/_sources/api/h5py_wrapper.rst.txt b/_sources/api/h5py_wrapper.md.txt similarity index 54% rename from dev/_sources/api/h5py_wrapper.rst.txt rename to _sources/api/h5py_wrapper.md.txt index ab2a5d6..6682ae0 100644 --- a/dev/_sources/api/h5py_wrapper.rst.txt +++ b/_sources/api/h5py_wrapper.md.txt @@ -1,7 +1,7 @@ -anypytools.h5py_wrapper -============================== +# anypytools.h5py_wrapper +```{eval-rst} .. automodule:: anypytools.h5py_wrapper :members: File, Group - +``` diff --git a/_sources/api/index.md.txt b/_sources/api/index.md.txt new file mode 100644 index 0000000..5dea572 --- /dev/null +++ b/_sources/api/index.md.txt @@ -0,0 +1,53 @@ +(api)= + +# AnyPyTools API + +## Userfacing API + +### Processing + +```{toctree} +:maxdepth: 2 + +AnyPyProcess +``` + +### Generating macros + +```{toctree} +:maxdepth: 2 + +AnyMacro +macro_commands +``` + +### Reading AnyOutputFiles + +```{toctree} +:maxdepth: 2 + +read_anyoutputfile +anyoutputfile_generator +``` + +### Reading anydatah5 (hdf5) files + +```{toctree} +:maxdepth: 1 + +h5py_wrapper +anydatah5_generator +``` + +## All modules + +```{toctree} +:maxdepth: 3 + +abcutils +datautils +macroutils +h5py_wrapper +pytest_plugin +tools +``` diff --git a/_sources/api/index.rst.txt b/_sources/api/index.rst.txt deleted file mode 100644 index dfa1bda..0000000 --- a/_sources/api/index.rst.txt +++ /dev/null @@ -1,60 +0,0 @@ -.. _api: - -================= -AnyPyTools API -================= - -Userfacing API --------------- - -Processing -~~~~~~~~~~ - -.. toctree:: - :maxdepth: 2 - - AnyPyProcess - - -Generating macros -~~~~~~~~~~~~~~~~~ - -.. toctree:: - :maxdepth: 2 - - AnyMacro - macro_commands - - -Reading AnyOutputFiles -~~~~~~~~~~~~~~~~~~~~~~ - -.. toctree:: - :maxdepth: 2 - - read_anyoutputfile - anyoutputfile_generator - -Reading anydatah5 (hdf5) files -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - -.. toctree:: - :maxdepth: 1 - - h5py_wrapper - anydatah5_generator - - -All modules ------------------- - -.. toctree:: - :maxdepth: 3 - - abcutils - datautils - macroutils - h5py_wrapper - pytest_plugin - tools - diff --git a/_sources/api/macro_commands.rst.txt b/_sources/api/macro_commands.md.txt similarity index 60% rename from _sources/api/macro_commands.rst.txt rename to _sources/api/macro_commands.md.txt index 67a7f8c..b060988 100644 --- a/_sources/api/macro_commands.rst.txt +++ b/_sources/api/macro_commands.md.txt @@ -1,8 +1,8 @@ -anypytools.macro_commands -================================ +# anypytools.macro_commands +```{eval-rst} .. automodule:: anypytools.macro_commands :members: :undoc-members: :noindex: - +``` diff --git a/_sources/api/macroutils.rst.txt b/_sources/api/macroutils.md.txt similarity index 60% rename from _sources/api/macroutils.rst.txt rename to _sources/api/macroutils.md.txt index f49af5f..ee4451c 100644 --- a/_sources/api/macroutils.rst.txt +++ b/_sources/api/macroutils.md.txt @@ -1,9 +1,9 @@ -anypytools.macroutils -===================== +# anypytools.macroutils +```{eval-rst} .. automodule:: anypytools.macroutils :members: :undoc-members: - +``` diff --git a/_sources/api/pytest_plugin.rst.txt b/_sources/api/pytest_plugin.md.txt similarity index 58% rename from _sources/api/pytest_plugin.rst.txt rename to _sources/api/pytest_plugin.md.txt index af2e454..7a7a07f 100644 --- a/_sources/api/pytest_plugin.rst.txt +++ b/_sources/api/pytest_plugin.md.txt @@ -1,8 +1,8 @@ -anypytools.pytest_plugin -======================== +# anypytools.pytest_plugin +```{eval-rst} .. automodule:: anypytools.pytest_plugin :members: :undoc-members: - +``` diff --git a/_sources/api/read_anyoutputfile.md.txt b/_sources/api/read_anyoutputfile.md.txt new file mode 100644 index 0000000..2620e6e --- /dev/null +++ b/_sources/api/read_anyoutputfile.md.txt @@ -0,0 +1,6 @@ +# anypytools.datautils.read_anyoutputfile + +```{eval-rst} +.. autofunction:: anypytools.datautils.read_anyoutputfile + :noindex: +``` diff --git a/_sources/api/read_anyoutputfile.rst.txt b/_sources/api/read_anyoutputfile.rst.txt deleted file mode 100644 index fbce15a..0000000 --- a/_sources/api/read_anyoutputfile.rst.txt +++ /dev/null @@ -1,6 +0,0 @@ -anypytools.datautils.read_anyoutputfile -======================================= - -.. autofunction:: anypytools.datautils.read_anyoutputfile - :noindex: - diff --git a/dev/_sources/api/tools.rst.txt b/_sources/api/tools.md.txt similarity index 52% rename from dev/_sources/api/tools.rst.txt rename to _sources/api/tools.md.txt index 965b1c9..ea31abd 100644 --- a/dev/_sources/api/tools.rst.txt +++ b/_sources/api/tools.md.txt @@ -1,6 +1,6 @@ -anypytools.tools -==================== +# anypytools.tools +```{eval-rst} .. automodule:: anypytools.tools :members: - +``` diff --git a/_sources/changelog.md.txt b/_sources/changelog.md.txt new file mode 100644 index 0000000..f1d6bec --- /dev/null +++ b/_sources/changelog.md.txt @@ -0,0 +1,5 @@ + +(changelog)= + +```{include} ../CHANGELOG.md +``` diff --git a/_sources/changelog.rst.txt b/_sources/changelog.rst.txt deleted file mode 100644 index 4d7817a..0000000 --- a/_sources/changelog.rst.txt +++ /dev/null @@ -1 +0,0 @@ -.. include:: ../CHANGELOG.rst \ No newline at end of file diff --git a/_sources/dependencies.md.txt b/_sources/dependencies.md.txt new file mode 100644 index 0000000..ba779b7 --- /dev/null +++ b/_sources/dependencies.md.txt @@ -0,0 +1,15 @@ +# Dependencies + +AnyPyTools currently has the following external dependencies, + +*Run Time:* + +> - [Python v3.6+](https://www.python.org/) +> - [Numpy](http://www.numpy.org/) +> - [SciPy\*](https://www.scipy.org/) +> - [PyDOE\*](https://pythonhosted.org/pyDOE/) +> - [h5py\*](http://www.h5py.org/) + +:::{note} +Packages markerd with (\*) are partly optional and only used in specific parts of the library. +::: diff --git a/_sources/dependencies.rst.txt b/_sources/dependencies.rst.txt deleted file mode 100644 index d7367a4..0000000 --- a/_sources/dependencies.rst.txt +++ /dev/null @@ -1,17 +0,0 @@ -Dependencies -============ -AnyPyTools currently has the following external dependencies, - -*Run Time:* - - - `Python v3.6+ `_ - - `Numpy `_ - - `SciPy* `_ - - `PyDOE* `_ - - `h5py* `_ - -.. note:: - - Packages markerd with (*) are partly optional and only used in specific parts of the library. - - diff --git a/_sources/devguide.md.txt b/_sources/devguide.md.txt new file mode 100644 index 0000000..1c1fb90 --- /dev/null +++ b/_sources/devguide.md.txt @@ -0,0 +1,4 @@ +(devguide)= + +```{include} ../CONTRIBUTING.md +``` \ No newline at end of file diff --git a/_sources/devguide.rst.txt b/_sources/devguide.rst.txt deleted file mode 100644 index 3bdd7dc..0000000 --- a/_sources/devguide.rst.txt +++ /dev/null @@ -1 +0,0 @@ -.. include:: ../CONTRIBUTING.rst \ No newline at end of file diff --git a/_sources/index.md.txt b/_sources/index.md.txt new file mode 100644 index 0000000..9420514 --- /dev/null +++ b/_sources/index.md.txt @@ -0,0 +1,95 @@ +# AnyPyTools' documentation! + +AnyPyTools is a toolkit for working with the AnyBody Modeling System (AMS) from +Python. + +:::{figure-md} +:align: center + +don't panic + +Don't panic +::: + +Its main purpose is to launch AnyBody simulations and collect results. It has a +scheduler to launch multiple instances of AMS utilising computers with multiple +cores. AnyPyTools makes it easy to do parameter and sensitivity and many other +things which is not possible directly within the AnyBody Modeling System. + +## Installation + +```{toctree} +:maxdepth: 1 +:titlesonly: true + +dependencies +install_guide +``` + +## Guides + +The tutorials below are also available as a set of +[Jupyter Notebooks](http://nbviewer.jupyter.org/github/AnyBody-Research-Group/AnyPyTools/blob/master/docs/Tutorial/00_AnyPyTools_tutorial.ipynb) + +```{toctree} +:maxdepth: 1 +:titlesonly: true + +Tutorial/01_Getting_started_with_anypytools.ipynb +Tutorial/02_Generating_macros.ipynb +Tutorial/03_Working_with_output_from_Anybody.ipynb +Tutorial/04_Batch_processing_multiple_models.ipynb +Tutorial/05_Monte_Carlo_studies_etc.ipynb +Tutorial/06_Tips&Tricks.ipynb +``` + +## Documentation + +```{toctree} +:maxdepth: 1 +:titlesonly: true + +api/index +pytest_plugin +``` + +## How to cite? + +If you use the library for publications please cite as: + +```{rst-class} without-title +``` + +:::{seealso} +Lund et al., (2019). AnyPyTools: A Python package for reproducible research with the AnyBody Modeling System. Journal of Open Source Software, 4(33), 1108, +::: + +## Development + +I greatly appreciate any contributions to AnyPyTools! If you would like to contribute, +it is as easy as forking the repository on GitHub, making your changes, and +issuing a pull request. If you have any questions about this process don't +hesitate to ask. + +See the {ref}`Developer's Guide ` for more information about contributing. + +```{toctree} +:maxdepth: 1 +:titlesonly: true + +devguide +changelog +``` + +## Usefull links + +If you have questions or comments, please contact the author directly, or +open a [new issue on GitHub](https://github.com/AnyBody-Research-Group/AnyPyTools/issues/new) + +- [Jupyter Notebook tutorial](https://nbviewer.jupyter.org/github/AnyBody-Research-Group/AnyPyTools/blob/master/docs/Tutorial/00_AnyPyTools_tutorial.ipynb) +- [Documentation](https://anybody-research-group.github.io/anypytools-docs) +- [Gitter](https://gitter.im/AnyBody-Research-Group/AnyPyTools) +- [GitHub Repository](https://github.com/AnyBody-Research-Group/AnyPyTools) +- {ref}`genindex` +- {ref}`modindex` +- {ref}`search` diff --git a/_sources/index.rst.txt b/_sources/index.rst.txt deleted file mode 100644 index b3cc967..0000000 --- a/_sources/index.rst.txt +++ /dev/null @@ -1,101 +0,0 @@ -AnyPyTools' documentation! -====================================== - -AnyPyTools is a toolkit for working with the AnyBody Modeling System (AMS) from -Python. - -.. image:: _static/relax.png - :alt: Don't panic - :align: center - -Its main purpose is to launch AnyBody simulations and collect results. It has a -scheduler to launch multiple instances of AMS utilising computers with multiple -cores. AnyPyTools makes it easy to do parameter and sensitivity and many other -things which is not possible directly within the AnyBody Modeling System. - -============= -Installation -============= - -.. toctree:: - :titlesonly: - :maxdepth: 1 - - dependencies - install_guide - -============= -Guides -============= - -The tutorials below are also available as a set of -`Jupyter Notebooks `_ - -.. toctree:: - :titlesonly: - :maxdepth: 1 - - Tutorial/01_Getting_started_with_anypytools.ipynb - Tutorial/02_Generating_macros.ipynb - Tutorial/03_Working_with_output_from_Anybody.ipynb - Tutorial/04_Batch_processing_multiple_models.ipynb - Tutorial/05_Monte_Carlo_studies_etc.ipynb - Tutorial/06_Tips&Tricks.ipynb - -============== -Documentation -============== - -.. toctree:: - :titlesonly: - :maxdepth: 1 - - api/index - pytest_plugin - -================ -How to cite? -================ - -If you use the library for publications please cite as: - -.. rst-class:: without-title - -.. seealso:: - Lund et al., (2019). AnyPyTools: A Python package for reproducible research with the AnyBody Modeling System. Journal of Open Source Software, 4(33), 1108, https://doi.org/10.21105/joss.01108 - - -============ -Development -============ - -I greatly appreciate any contributions to AnyPyTools! If you would like to contribute, -it is as easy as forking the repository on GitHub, making your changes, and -issuing a pull request. If you have any questions about this process don't -hesitate to ask. - -See the `Developer's Guide `_ for more information about contributing. - -.. toctree:: - :titlesonly: - :maxdepth: 1 - - devguide - changelog - - -============= -Usefull links -============= - -If you have questions or comments, please contact the author directly, or -open a `new issue on GitHub `_ - -* `Jupyter Notebook tutorial `_ -* `Documentation `_ -* `Gitter `_ -* `GitHub Repository `_ -* :ref:`genindex` -* :ref:`modindex` -* :ref:`search` - diff --git a/_sources/install_guide.md.txt b/_sources/install_guide.md.txt new file mode 100644 index 0000000..678f058 --- /dev/null +++ b/_sources/install_guide.md.txt @@ -0,0 +1,39 @@ +# Install guide + +## Installation + +### The easy way + +The easiest way to install AnyPyTools on windows is through the Anaconda Python +Distribution and the conda package manager. + +Install AnyPyTools with the following command: + +```bat +> conda config --add channels conda-forge +> conda install anypytools +``` + +This will install xonsh and all the recommended dependencies. Next, try to launch the +interactive AnyPyTools notebook tutorial : + +```bat +> AnyPyToolsTutorial.bat +``` + +### Install from source + +To install xonsh from source on Windows, first install [Python]. Remember to select "Add python to PATH" during installation. + +Download the latest [anypytools-master.zip] from github and unzip it +to `anypytools-master`. + +Now install anypytools: + +```bat +> cd anypytools-master +> pip install -e +``` + +[anypytools-master.zip]: https://github.com/anybody-research-group/anypytools/archive/master.zip +[python]: https://www.python.org/downloads/windows/ diff --git a/_sources/install_guide.rst.txt b/_sources/install_guide.rst.txt deleted file mode 100644 index 29d5a62..0000000 --- a/_sources/install_guide.rst.txt +++ /dev/null @@ -1,49 +0,0 @@ -========================== -Install guide -========================== - -Installation -================ - -The easy way ----------------- - -The easiest way to install AnyPyTools on windows is through the Anaconda Python -Distribution and the conda package manager. - -Install AnyPyTools with the following command: - -.. code-block:: bat - - > conda config --add channels conda-forge - > conda install anypytools - -This will install xonsh and all the recommended dependencies. Next, try to launch the -interactive AnyPyTools notebook tutorial : - -.. code-block:: bat - - > AnyPyToolsTutorial.bat - - -Install from source -------------------- - -To install xonsh from source on Windows, first install `Python`_. Remember to select "Add python to PATH" during installation. - - -Download the latest `anypytools-master.zip`_ from github and unzip it -to ``anypytools-master``. - -Now install anypytools: - -.. code-block:: bat - - > cd anypytools-master - > pip install -e - -.. _Python: https://www.python.org/downloads/windows/ -.. _anypytools-master.zip: https://github.com/anybody-research-group/anypytools/archive/master.zip - - - diff --git a/_sources/pytest_plugin.rst.txt b/_sources/pytest_plugin.md.txt similarity index 52% rename from _sources/pytest_plugin.rst.txt rename to _sources/pytest_plugin.md.txt index bc089ec..ce83c66 100644 --- a/_sources/pytest_plugin.rst.txt +++ b/_sources/pytest_plugin.md.txt @@ -1,14 +1,14 @@ -PyTest plugin. -================================ +# PyTest plugin. Pytest is a fantastic test framework for Python code. AnyPyTools provides a pytest plugin for running and testing AnyBody models. The plugin make pytest -collect and run AnyScript files with a ``test_`` prefix (e.g. -``test_mymodel.any``). Once loaded the plugin will attempt to execute a -``Main.RunTest`` operation if it exists. If the models produce error while +collect and run AnyScript files with a `test_` prefix (e.g. +`test_mymodel.any`). Once loaded the plugin will attempt to execute a +`Main.RunTest` operation if it exists. If the models produce error while loading and running, the framework considers it a failed test. +```{eval-rst} .. automodule:: anypytools.pytest_plugin :members: :noindex: - +``` diff --git a/_static/documentation_options.js b/_static/documentation_options.js index 9e4823c..187d0da 100644 --- a/_static/documentation_options.js +++ b/_static/documentation_options.js @@ -1,6 +1,6 @@ var DOCUMENTATION_OPTIONS = { URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'), - VERSION: '1.7.1', + VERSION: '1.7.2', LANGUAGE: 'None', COLLAPSE_INDEX: false, BUILDER: 'html', diff --git a/api/AnyMacro.html b/api/AnyMacro.html index c4d3702..8f617ee 100644 --- a/api/AnyMacro.html +++ b/api/AnyMacro.html @@ -7,7 +7,7 @@ - anypytools.AnyMacro — AnyPyTools 1.7.1 documentation + anypytools.AnyMacro — AnyPyTools 1.7.2 documentation @@ -18,6 +18,7 @@ + @@ -62,7 +63,7 @@

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    Source code for anypytools.abcutils

             # Extend the folderlist if search_subdir is given
             if isinstance(search_subdirs, str) and isinstance(folderlist[0], str):
                 folderlist = sum([getsubdirs(d, search_subdirs) for d in folderlist], [])
    +            if len(folderlist) == 0:
    +                raise ValueError(
    +                    f"No subdirectories found, which match the file:{search_subdirs}"
    +                )
             # Check for explicit logfile
             if not isinstance(logfile, (type(None), str, os.PathLike)):
                 raise ValueError("logfile must be a str or path")
    @@ -1048,7 +1053,7 @@ 

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    Source code for anypytools.pytest_plugin

     import pytest
     
     
    -from _pytest.tmpdir import TempdirFactory, TempPathFactory
    +from pytest import TempdirFactory, TempPathFactory
     
     from anypytools import AnyPyProcess, macro_commands
     from anypytools.tools import (
    @@ -671,7 +672,7 @@ 

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    diff --git a/dev/_sources/api/AnyMacro.md.txt b/dev/_sources/api/AnyMacro.md.txt new file mode 100644 index 0000000..27c4cd6 --- /dev/null +++ b/dev/_sources/api/AnyMacro.md.txt @@ -0,0 +1,16 @@ +# anypytools.AnyMacro + +See {doc}`macro_commands` for a list of classes that generate macro commands. + +```{eval-rst} +.. autoclass:: anypytools.AnyMacro + :members: + :noindex: + + + + + + + +``` diff --git a/dev/_sources/api/AnyMacro.rst.txt b/dev/_sources/api/AnyMacro.rst.txt deleted file mode 100644 index 50642e8..0000000 --- a/dev/_sources/api/AnyMacro.rst.txt +++ /dev/null @@ -1,17 +0,0 @@ -anypytools.AnyMacro -==================== - -See :doc:`macro_commands` for a list of classes that generate macro commands. - - -.. autoclass:: anypytools.AnyMacro - :members: - :noindex: - - - - - - - - diff --git a/_sources/api/AnyPyProcess.rst.txt b/dev/_sources/api/AnyPyProcess.md.txt similarity index 54% rename from _sources/api/AnyPyProcess.rst.txt rename to dev/_sources/api/AnyPyProcess.md.txt index 656b372..3e960d1 100644 --- a/_sources/api/AnyPyProcess.rst.txt +++ b/dev/_sources/api/AnyPyProcess.md.txt @@ -1,14 +1,12 @@ +# anypytools.AnyPyProcess - -anypytools.AnyPyProcess -~~~~~~~~~~~~~~~~~~~~~~~ - +```{eval-rst} .. autoclass:: anypytools.AnyPyProcess :members: :noindex: - - - + + +``` diff --git a/_sources/api/abcutils.rst.txt b/dev/_sources/api/abcutils.md.txt similarity index 61% rename from _sources/api/abcutils.rst.txt rename to dev/_sources/api/abcutils.md.txt index 75a4462..60482e1 100644 --- a/_sources/api/abcutils.rst.txt +++ b/dev/_sources/api/abcutils.md.txt @@ -1,9 +1,9 @@ -anypytools.abcutils -==================== +# anypytools.abcutils +```{eval-rst} .. automodule:: anypytools.abcutils :members: :undoc-members: - +``` diff --git a/dev/_sources/api/anydatah5_generator.md.txt b/dev/_sources/api/anydatah5_generator.md.txt new file mode 100644 index 0000000..a09ba69 --- /dev/null +++ b/dev/_sources/api/anydatah5_generator.md.txt @@ -0,0 +1,6 @@ +# anypytools.datautils.anydatah5_generator + +```{eval-rst} +.. autofunction:: anypytools.datautils.anydatah5_generator + :noindex: +``` diff --git a/dev/_sources/api/anydatah5_generator.rst.txt b/dev/_sources/api/anydatah5_generator.rst.txt deleted file mode 100644 index 7d7b287..0000000 --- a/dev/_sources/api/anydatah5_generator.rst.txt +++ /dev/null @@ -1,6 +0,0 @@ -anypytools.datautils.anydatah5_generator -======================================== - -.. autofunction:: anypytools.datautils.anydatah5_generator - :noindex: - diff --git a/dev/_sources/api/anyoutputfile_generator.md.txt b/dev/_sources/api/anyoutputfile_generator.md.txt new file mode 100644 index 0000000..2578909 --- /dev/null +++ b/dev/_sources/api/anyoutputfile_generator.md.txt @@ -0,0 +1,6 @@ +# anypytools.datautils.anyoutputfile_generator + +```{eval-rst} +.. autofunction:: anypytools.datautils.anyoutputfile_generator + :noindex: +``` diff --git a/dev/_sources/api/anyoutputfile_generator.rst.txt b/dev/_sources/api/anyoutputfile_generator.rst.txt deleted file mode 100644 index b0cfaef..0000000 --- a/dev/_sources/api/anyoutputfile_generator.rst.txt +++ /dev/null @@ -1,6 +0,0 @@ -anypytools.datautils.anyoutputfile_generator -============================================ - -.. autofunction:: anypytools.datautils.anyoutputfile_generator - :noindex: - diff --git a/_sources/api/datautils.rst.txt b/dev/_sources/api/datautils.md.txt similarity index 61% rename from _sources/api/datautils.rst.txt rename to dev/_sources/api/datautils.md.txt index c077433..e7a7dc1 100644 --- a/_sources/api/datautils.rst.txt +++ b/dev/_sources/api/datautils.md.txt @@ -1,9 +1,9 @@ -anypytools.datautils -==================== +# anypytools.datautils +```{eval-rst} .. automodule:: anypytools.datautils :members: :undoc-members: - +``` diff --git a/_sources/api/h5py_wrapper.rst.txt b/dev/_sources/api/h5py_wrapper.md.txt similarity index 54% rename from _sources/api/h5py_wrapper.rst.txt rename to dev/_sources/api/h5py_wrapper.md.txt index ab2a5d6..6682ae0 100644 --- a/_sources/api/h5py_wrapper.rst.txt +++ b/dev/_sources/api/h5py_wrapper.md.txt @@ -1,7 +1,7 @@ -anypytools.h5py_wrapper -============================== +# anypytools.h5py_wrapper +```{eval-rst} .. automodule:: anypytools.h5py_wrapper :members: File, Group - +``` diff --git a/dev/_sources/api/index.md.txt b/dev/_sources/api/index.md.txt new file mode 100644 index 0000000..5dea572 --- /dev/null +++ b/dev/_sources/api/index.md.txt @@ -0,0 +1,53 @@ +(api)= + +# AnyPyTools API + +## Userfacing API + +### Processing + +```{toctree} +:maxdepth: 2 + +AnyPyProcess +``` + +### Generating macros + +```{toctree} +:maxdepth: 2 + +AnyMacro +macro_commands +``` + +### Reading AnyOutputFiles + +```{toctree} +:maxdepth: 2 + +read_anyoutputfile +anyoutputfile_generator +``` + +### Reading anydatah5 (hdf5) files + +```{toctree} +:maxdepth: 1 + +h5py_wrapper +anydatah5_generator +``` + +## All modules + +```{toctree} +:maxdepth: 3 + +abcutils +datautils +macroutils +h5py_wrapper +pytest_plugin +tools +``` diff --git a/dev/_sources/api/index.rst.txt b/dev/_sources/api/index.rst.txt deleted file mode 100644 index dfa1bda..0000000 --- a/dev/_sources/api/index.rst.txt +++ /dev/null @@ -1,60 +0,0 @@ -.. _api: - -================= -AnyPyTools API -================= - -Userfacing API --------------- - -Processing -~~~~~~~~~~ - -.. toctree:: - :maxdepth: 2 - - AnyPyProcess - - -Generating macros -~~~~~~~~~~~~~~~~~ - -.. toctree:: - :maxdepth: 2 - - AnyMacro - macro_commands - - -Reading AnyOutputFiles -~~~~~~~~~~~~~~~~~~~~~~ - -.. toctree:: - :maxdepth: 2 - - read_anyoutputfile - anyoutputfile_generator - -Reading anydatah5 (hdf5) files -~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ - -.. toctree:: - :maxdepth: 1 - - h5py_wrapper - anydatah5_generator - - -All modules ------------------- - -.. toctree:: - :maxdepth: 3 - - abcutils - datautils - macroutils - h5py_wrapper - pytest_plugin - tools - diff --git a/dev/_sources/api/macro_commands.rst.txt b/dev/_sources/api/macro_commands.md.txt similarity index 60% rename from dev/_sources/api/macro_commands.rst.txt rename to dev/_sources/api/macro_commands.md.txt index 67a7f8c..b060988 100644 --- a/dev/_sources/api/macro_commands.rst.txt +++ b/dev/_sources/api/macro_commands.md.txt @@ -1,8 +1,8 @@ -anypytools.macro_commands -================================ +# anypytools.macro_commands +```{eval-rst} .. automodule:: anypytools.macro_commands :members: :undoc-members: :noindex: - +``` diff --git a/dev/_sources/api/macroutils.rst.txt b/dev/_sources/api/macroutils.md.txt similarity index 60% rename from dev/_sources/api/macroutils.rst.txt rename to dev/_sources/api/macroutils.md.txt index f49af5f..ee4451c 100644 --- a/dev/_sources/api/macroutils.rst.txt +++ b/dev/_sources/api/macroutils.md.txt @@ -1,9 +1,9 @@ -anypytools.macroutils -===================== +# anypytools.macroutils +```{eval-rst} .. automodule:: anypytools.macroutils :members: :undoc-members: - +``` diff --git a/dev/_sources/api/pytest_plugin.rst.txt b/dev/_sources/api/pytest_plugin.md.txt similarity index 58% rename from dev/_sources/api/pytest_plugin.rst.txt rename to dev/_sources/api/pytest_plugin.md.txt index af2e454..7a7a07f 100644 --- a/dev/_sources/api/pytest_plugin.rst.txt +++ b/dev/_sources/api/pytest_plugin.md.txt @@ -1,8 +1,8 @@ -anypytools.pytest_plugin -======================== +# anypytools.pytest_plugin +```{eval-rst} .. automodule:: anypytools.pytest_plugin :members: :undoc-members: - +``` diff --git a/dev/_sources/api/read_anyoutputfile.md.txt b/dev/_sources/api/read_anyoutputfile.md.txt new file mode 100644 index 0000000..2620e6e --- /dev/null +++ b/dev/_sources/api/read_anyoutputfile.md.txt @@ -0,0 +1,6 @@ +# anypytools.datautils.read_anyoutputfile + +```{eval-rst} +.. autofunction:: anypytools.datautils.read_anyoutputfile + :noindex: +``` diff --git a/dev/_sources/api/read_anyoutputfile.rst.txt b/dev/_sources/api/read_anyoutputfile.rst.txt deleted file mode 100644 index fbce15a..0000000 --- a/dev/_sources/api/read_anyoutputfile.rst.txt +++ /dev/null @@ -1,6 +0,0 @@ -anypytools.datautils.read_anyoutputfile -======================================= - -.. autofunction:: anypytools.datautils.read_anyoutputfile - :noindex: - diff --git a/_sources/api/tools.rst.txt b/dev/_sources/api/tools.md.txt similarity index 52% rename from _sources/api/tools.rst.txt rename to dev/_sources/api/tools.md.txt index 965b1c9..ea31abd 100644 --- a/_sources/api/tools.rst.txt +++ b/dev/_sources/api/tools.md.txt @@ -1,6 +1,6 @@ -anypytools.tools -==================== +# anypytools.tools +```{eval-rst} .. automodule:: anypytools.tools :members: - +``` diff --git a/dev/_sources/changelog.md.txt b/dev/_sources/changelog.md.txt new file mode 100644 index 0000000..f1d6bec --- /dev/null +++ b/dev/_sources/changelog.md.txt @@ -0,0 +1,5 @@ + +(changelog)= + +```{include} ../CHANGELOG.md +``` diff --git a/dev/_sources/changelog.rst.txt b/dev/_sources/changelog.rst.txt deleted file mode 100644 index 4d7817a..0000000 --- a/dev/_sources/changelog.rst.txt +++ /dev/null @@ -1 +0,0 @@ -.. include:: ../CHANGELOG.rst \ No newline at end of file diff --git a/dev/_sources/dependencies.md.txt b/dev/_sources/dependencies.md.txt new file mode 100644 index 0000000..ba779b7 --- /dev/null +++ b/dev/_sources/dependencies.md.txt @@ -0,0 +1,15 @@ +# Dependencies + +AnyPyTools currently has the following external dependencies, + +*Run Time:* + +> - [Python v3.6+](https://www.python.org/) +> - [Numpy](http://www.numpy.org/) +> - [SciPy\*](https://www.scipy.org/) +> - [PyDOE\*](https://pythonhosted.org/pyDOE/) +> - [h5py\*](http://www.h5py.org/) + +:::{note} +Packages markerd with (\*) are partly optional and only used in specific parts of the library. +::: diff --git a/dev/_sources/dependencies.rst.txt b/dev/_sources/dependencies.rst.txt deleted file mode 100644 index d7367a4..0000000 --- a/dev/_sources/dependencies.rst.txt +++ /dev/null @@ -1,17 +0,0 @@ -Dependencies -============ -AnyPyTools currently has the following external dependencies, - -*Run Time:* - - - `Python v3.6+ `_ - - `Numpy `_ - - `SciPy* `_ - - `PyDOE* `_ - - `h5py* `_ - -.. note:: - - Packages markerd with (*) are partly optional and only used in specific parts of the library. - - diff --git a/dev/_sources/devguide.md.txt b/dev/_sources/devguide.md.txt new file mode 100644 index 0000000..1c1fb90 --- /dev/null +++ b/dev/_sources/devguide.md.txt @@ -0,0 +1,4 @@ +(devguide)= + +```{include} ../CONTRIBUTING.md +``` \ No newline at end of file diff --git a/dev/_sources/devguide.rst.txt b/dev/_sources/devguide.rst.txt deleted file mode 100644 index 3bdd7dc..0000000 --- a/dev/_sources/devguide.rst.txt +++ /dev/null @@ -1 +0,0 @@ -.. include:: ../CONTRIBUTING.rst \ No newline at end of file diff --git a/dev/_sources/index.md.txt b/dev/_sources/index.md.txt new file mode 100644 index 0000000..9420514 --- /dev/null +++ b/dev/_sources/index.md.txt @@ -0,0 +1,95 @@ +# AnyPyTools' documentation! + +AnyPyTools is a toolkit for working with the AnyBody Modeling System (AMS) from +Python. + +:::{figure-md} +:align: center + +don't panic + +Don't panic +::: + +Its main purpose is to launch AnyBody simulations and collect results. It has a +scheduler to launch multiple instances of AMS utilising computers with multiple +cores. AnyPyTools makes it easy to do parameter and sensitivity and many other +things which is not possible directly within the AnyBody Modeling System. + +## Installation + +```{toctree} +:maxdepth: 1 +:titlesonly: true + +dependencies +install_guide +``` + +## Guides + +The tutorials below are also available as a set of +[Jupyter Notebooks](http://nbviewer.jupyter.org/github/AnyBody-Research-Group/AnyPyTools/blob/master/docs/Tutorial/00_AnyPyTools_tutorial.ipynb) + +```{toctree} +:maxdepth: 1 +:titlesonly: true + +Tutorial/01_Getting_started_with_anypytools.ipynb +Tutorial/02_Generating_macros.ipynb +Tutorial/03_Working_with_output_from_Anybody.ipynb +Tutorial/04_Batch_processing_multiple_models.ipynb +Tutorial/05_Monte_Carlo_studies_etc.ipynb +Tutorial/06_Tips&Tricks.ipynb +``` + +## Documentation + +```{toctree} +:maxdepth: 1 +:titlesonly: true + +api/index +pytest_plugin +``` + +## How to cite? + +If you use the library for publications please cite as: + +```{rst-class} without-title +``` + +:::{seealso} +Lund et al., (2019). AnyPyTools: A Python package for reproducible research with the AnyBody Modeling System. Journal of Open Source Software, 4(33), 1108, +::: + +## Development + +I greatly appreciate any contributions to AnyPyTools! If you would like to contribute, +it is as easy as forking the repository on GitHub, making your changes, and +issuing a pull request. If you have any questions about this process don't +hesitate to ask. + +See the {ref}`Developer's Guide ` for more information about contributing. + +```{toctree} +:maxdepth: 1 +:titlesonly: true + +devguide +changelog +``` + +## Usefull links + +If you have questions or comments, please contact the author directly, or +open a [new issue on GitHub](https://github.com/AnyBody-Research-Group/AnyPyTools/issues/new) + +- [Jupyter Notebook tutorial](https://nbviewer.jupyter.org/github/AnyBody-Research-Group/AnyPyTools/blob/master/docs/Tutorial/00_AnyPyTools_tutorial.ipynb) +- [Documentation](https://anybody-research-group.github.io/anypytools-docs) +- [Gitter](https://gitter.im/AnyBody-Research-Group/AnyPyTools) +- [GitHub Repository](https://github.com/AnyBody-Research-Group/AnyPyTools) +- {ref}`genindex` +- {ref}`modindex` +- {ref}`search` diff --git a/dev/_sources/index.rst.txt b/dev/_sources/index.rst.txt deleted file mode 100644 index b3cc967..0000000 --- a/dev/_sources/index.rst.txt +++ /dev/null @@ -1,101 +0,0 @@ -AnyPyTools' documentation! -====================================== - -AnyPyTools is a toolkit for working with the AnyBody Modeling System (AMS) from -Python. - -.. image:: _static/relax.png - :alt: Don't panic - :align: center - -Its main purpose is to launch AnyBody simulations and collect results. It has a -scheduler to launch multiple instances of AMS utilising computers with multiple -cores. AnyPyTools makes it easy to do parameter and sensitivity and many other -things which is not possible directly within the AnyBody Modeling System. - -============= -Installation -============= - -.. toctree:: - :titlesonly: - :maxdepth: 1 - - dependencies - install_guide - -============= -Guides -============= - -The tutorials below are also available as a set of -`Jupyter Notebooks `_ - -.. toctree:: - :titlesonly: - :maxdepth: 1 - - Tutorial/01_Getting_started_with_anypytools.ipynb - Tutorial/02_Generating_macros.ipynb - Tutorial/03_Working_with_output_from_Anybody.ipynb - Tutorial/04_Batch_processing_multiple_models.ipynb - Tutorial/05_Monte_Carlo_studies_etc.ipynb - Tutorial/06_Tips&Tricks.ipynb - -============== -Documentation -============== - -.. toctree:: - :titlesonly: - :maxdepth: 1 - - api/index - pytest_plugin - -================ -How to cite? -================ - -If you use the library for publications please cite as: - -.. rst-class:: without-title - -.. seealso:: - Lund et al., (2019). AnyPyTools: A Python package for reproducible research with the AnyBody Modeling System. Journal of Open Source Software, 4(33), 1108, https://doi.org/10.21105/joss.01108 - - -============ -Development -============ - -I greatly appreciate any contributions to AnyPyTools! If you would like to contribute, -it is as easy as forking the repository on GitHub, making your changes, and -issuing a pull request. If you have any questions about this process don't -hesitate to ask. - -See the `Developer's Guide `_ for more information about contributing. - -.. toctree:: - :titlesonly: - :maxdepth: 1 - - devguide - changelog - - -============= -Usefull links -============= - -If you have questions or comments, please contact the author directly, or -open a `new issue on GitHub `_ - -* `Jupyter Notebook tutorial `_ -* `Documentation `_ -* `Gitter `_ -* `GitHub Repository `_ -* :ref:`genindex` -* :ref:`modindex` -* :ref:`search` - diff --git a/dev/_sources/install_guide.md.txt b/dev/_sources/install_guide.md.txt new file mode 100644 index 0000000..678f058 --- /dev/null +++ b/dev/_sources/install_guide.md.txt @@ -0,0 +1,39 @@ +# Install guide + +## Installation + +### The easy way + +The easiest way to install AnyPyTools on windows is through the Anaconda Python +Distribution and the conda package manager. + +Install AnyPyTools with the following command: + +```bat +> conda config --add channels conda-forge +> conda install anypytools +``` + +This will install xonsh and all the recommended dependencies. Next, try to launch the +interactive AnyPyTools notebook tutorial : + +```bat +> AnyPyToolsTutorial.bat +``` + +### Install from source + +To install xonsh from source on Windows, first install [Python]. Remember to select "Add python to PATH" during installation. + +Download the latest [anypytools-master.zip] from github and unzip it +to `anypytools-master`. + +Now install anypytools: + +```bat +> cd anypytools-master +> pip install -e +``` + +[anypytools-master.zip]: https://github.com/anybody-research-group/anypytools/archive/master.zip +[python]: https://www.python.org/downloads/windows/ diff --git a/dev/_sources/install_guide.rst.txt b/dev/_sources/install_guide.rst.txt deleted file mode 100644 index 29d5a62..0000000 --- a/dev/_sources/install_guide.rst.txt +++ /dev/null @@ -1,49 +0,0 @@ -========================== -Install guide -========================== - -Installation -================ - -The easy way ----------------- - -The easiest way to install AnyPyTools on windows is through the Anaconda Python -Distribution and the conda package manager. - -Install AnyPyTools with the following command: - -.. code-block:: bat - - > conda config --add channels conda-forge - > conda install anypytools - -This will install xonsh and all the recommended dependencies. Next, try to launch the -interactive AnyPyTools notebook tutorial : - -.. code-block:: bat - - > AnyPyToolsTutorial.bat - - -Install from source -------------------- - -To install xonsh from source on Windows, first install `Python`_. Remember to select "Add python to PATH" during installation. - - -Download the latest `anypytools-master.zip`_ from github and unzip it -to ``anypytools-master``. - -Now install anypytools: - -.. code-block:: bat - - > cd anypytools-master - > pip install -e - -.. _Python: https://www.python.org/downloads/windows/ -.. _anypytools-master.zip: https://github.com/anybody-research-group/anypytools/archive/master.zip - - - diff --git a/dev/_sources/pytest_plugin.rst.txt b/dev/_sources/pytest_plugin.md.txt similarity index 52% rename from dev/_sources/pytest_plugin.rst.txt rename to dev/_sources/pytest_plugin.md.txt index bc089ec..ce83c66 100644 --- a/dev/_sources/pytest_plugin.rst.txt +++ b/dev/_sources/pytest_plugin.md.txt @@ -1,14 +1,14 @@ -PyTest plugin. -================================ +# PyTest plugin. Pytest is a fantastic test framework for Python code. AnyPyTools provides a pytest plugin for running and testing AnyBody models. The plugin make pytest -collect and run AnyScript files with a ``test_`` prefix (e.g. -``test_mymodel.any``). Once loaded the plugin will attempt to execute a -``Main.RunTest`` operation if it exists. If the models produce error while +collect and run AnyScript files with a `test_` prefix (e.g. +`test_mymodel.any`). Once loaded the plugin will attempt to execute a +`Main.RunTest` operation if it exists. If the models produce error while loading and running, the framework considers it a failed test. +```{eval-rst} .. automodule:: anypytools.pytest_plugin :members: :noindex: - +``` diff --git a/dev/_static/documentation_options.js b/dev/_static/documentation_options.js index 9e4823c..187d0da 100644 --- a/dev/_static/documentation_options.js +++ b/dev/_static/documentation_options.js @@ -1,6 +1,6 @@ var DOCUMENTATION_OPTIONS = { URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'), - VERSION: '1.7.1', + VERSION: '1.7.2', LANGUAGE: 'None', COLLAPSE_INDEX: false, BUILDER: 'html', diff --git a/dev/api/AnyMacro.html b/dev/api/AnyMacro.html index c4d3702..8f617ee 100644 --- a/dev/api/AnyMacro.html +++ b/dev/api/AnyMacro.html @@ -7,7 +7,7 @@ - anypytools.AnyMacro — AnyPyTools 1.7.1 documentation + anypytools.AnyMacro — AnyPyTools 1.7.2 documentation @@ -18,6 +18,7 @@ + @@ -62,7 +63,7 @@

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    <v0.8Page contents

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          5. Create a tag with the version number and push it.

          6. -
          7. -
            Crate PYPI pckage
              +
            1. +
              Crate PYPI pckage
              1. Run python setup.py sdist

              2. Run twine upload dist/*

              @@ -337,7 +341,7 @@

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        Don’t panic

        +

        Its main purpose is to launch AnyBody simulations and collect results. It has a scheduler to launch multiple instances of AMS utilising computers with multiple cores. AnyPyTools makes it easy to do parameter and sensitivity and many other @@ -153,7 +157,7 @@

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        Python Hooks

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