From 5367312d86d3e5df06cf73294e933d14ed016559 Mon Sep 17 00:00:00 2001 From: Edan Bainglass <45081142+edan-bainglass@users.noreply.github.com> Date: Tue, 30 Jan 2024 18:59:18 +0100 Subject: [PATCH] (PR #69) Add RTD documentation * Initialize environment for documentation * Set up documentation structure * Write installation guide * Update permissions * Rename `docs/source/tutorials` to `docs/source/tutorial` * Move `BIG-MAP App Store` link to `conf.py` * Write tutorial * Write development guide * Update author list in `setup.cfg` --- .readthedocs.yaml | 28 +++ docs/Makefile | 23 +++ docs/requirements.in | 2 + docs/requirements.txt | 80 +++++++++ .../source/_static/examples/example.specs.csv | 2 + .../_static/images/available_protocols.png | Bin 0 -> 15287 bytes .../_static/images/available_samples.png | Bin 0 -> 34317 bytes docs/source/_static/images/controls.png | Bin 0 -> 28349 bytes docs/source/_static/images/crash.png | Bin 0 -> 20756 bytes docs/source/_static/images/data_download.png | Bin 0 -> 7050 bytes .../_static/images/experiment_builder.png | Bin 0 -> 17427 bytes .../_static/images/experiment_selector.png | Bin 0 -> 6303 bytes .../images/experiment_selector_item.png | Bin 0 -> 3634 bytes docs/source/_static/images/full_logo.svg | 1 + .../_static/images/homepage-app-banner.png | Bin 0 -> 16031 bytes docs/source/_static/images/icon.svg | 1 + .../_static/images/mass_normalization.png | Bin 0 -> 4819 bytes .../images/mass_normalization_controls.png | Bin 0 -> 2829 bytes .../_static/images/nav-bar-app-store.png | Bin 0 -> 9650 bytes .../_static/images/nav-bar-terminal.png | Bin 0 -> 9894 bytes docs/source/_static/images/plot.png | Bin 0 -> 32801 bytes docs/source/_static/images/preview.png | Bin 0 -> 44137 bytes .../source/_static/images/protocol_editor.png | Bin 0 -> 24858 bytes .../_static/images/protocol_selector.png | Bin 0 -> 16228 bytes .../_static/images/protocols_inventory.png | Bin 0 -> 9322 bytes .../source/_static/images/sample_selector.png | Bin 0 -> 38585 bytes .../_static/images/samples_filtering.png | Bin 0 -> 15993 bytes .../_static/images/samples_grouping.png | Bin 0 -> 60721 bytes .../_static/images/samples_importer.png | Bin 0 -> 14495 bytes .../_static/images/samples_inventory.png | Bin 0 -> 16106 bytes .../_static/images/settings_selector.png | Bin 0 -> 18141 bytes docs/source/_static/images/sub_batching.png | Bin 0 -> 2085 bytes docs/source/_static/images/submission.png | Bin 0 -> 5915 bytes docs/source/_static/images/visualizer.png | Bin 0 -> 20191 bytes .../_static/images/visualizer_controls.png | Bin 0 -> 3537 bytes docs/source/conf.py | 93 ++++++++++ docs/source/development/index.rst | 80 +++++++++ docs/source/index.rst | 128 ++++++++++++++ docs/source/installation/index.rst | 164 ++++++++++++++++++ docs/source/report.rst | 15 ++ docs/source/tutorial/experiment_builder.rst | 87 ++++++++++ docs/source/tutorial/index.rst | 23 +++ docs/source/tutorial/protocols_manager.rst | 45 +++++ docs/source/tutorial/results_visualizer.rst | 136 +++++++++++++++ docs/source/tutorial/samples_manager.rst | 79 +++++++++ setup.cfg | 5 +- 46 files changed, 991 insertions(+), 1 deletion(-) create mode 100644 .readthedocs.yaml create mode 100644 docs/Makefile create mode 100644 docs/requirements.in create mode 100644 docs/requirements.txt create mode 100644 docs/source/_static/examples/example.specs.csv create mode 100644 docs/source/_static/images/available_protocols.png create mode 100644 docs/source/_static/images/available_samples.png create mode 100644 docs/source/_static/images/controls.png create mode 100644 docs/source/_static/images/crash.png create mode 100644 docs/source/_static/images/data_download.png create mode 100644 docs/source/_static/images/experiment_builder.png create mode 100644 docs/source/_static/images/experiment_selector.png create mode 100644 docs/source/_static/images/experiment_selector_item.png create mode 100644 docs/source/_static/images/full_logo.svg create mode 100644 docs/source/_static/images/homepage-app-banner.png create mode 100644 docs/source/_static/images/icon.svg create mode 100644 docs/source/_static/images/mass_normalization.png create mode 100644 docs/source/_static/images/mass_normalization_controls.png create mode 100644 docs/source/_static/images/nav-bar-app-store.png create mode 100644 docs/source/_static/images/nav-bar-terminal.png create mode 100644 docs/source/_static/images/plot.png create mode 100644 docs/source/_static/images/preview.png create mode 100644 docs/source/_static/images/protocol_editor.png create mode 100644 docs/source/_static/images/protocol_selector.png create mode 100644 docs/source/_static/images/protocols_inventory.png create mode 100644 docs/source/_static/images/sample_selector.png create mode 100644 docs/source/_static/images/samples_filtering.png create mode 100644 docs/source/_static/images/samples_grouping.png create mode 100644 docs/source/_static/images/samples_importer.png create mode 100644 docs/source/_static/images/samples_inventory.png create mode 100644 docs/source/_static/images/settings_selector.png create mode 100644 docs/source/_static/images/sub_batching.png create mode 100644 docs/source/_static/images/submission.png create mode 100644 docs/source/_static/images/visualizer.png create mode 100644 docs/source/_static/images/visualizer_controls.png create mode 100644 docs/source/conf.py create mode 100644 docs/source/development/index.rst create mode 100644 docs/source/index.rst create mode 100644 docs/source/installation/index.rst create mode 100644 docs/source/report.rst create mode 100644 docs/source/tutorial/experiment_builder.rst create mode 100644 docs/source/tutorial/index.rst create mode 100644 docs/source/tutorial/protocols_manager.rst create mode 100644 docs/source/tutorial/results_visualizer.rst create mode 100644 docs/source/tutorial/samples_manager.rst diff --git a/.readthedocs.yaml b/.readthedocs.yaml new file mode 100644 index 00000000..3af684ee --- /dev/null +++ b/.readthedocs.yaml @@ -0,0 +1,28 @@ +--- +# Read the Docs configuration file for Sphinx projects +# See https://docs.readthedocs.io/en/stable/config-file/v2.html for details + +# Required +version: 2 + +# Set the OS, Python version and other tools you might need +build: + os: ubuntu-22.04 + tools: + python: '3.9' + +# Build documentation in the "docs/" directory with Sphinx +sphinx: + configuration: docs/source/conf.py + +# Optionally build your docs in additional formats such as PDF and ePub +# formats: +# - pdf +# - epub + +# Optional but recommended, declare the Python requirements required +# to build your documentation +# See https://docs.readthedocs.io/en/stable/guides/reproducible-builds.html +python: + install: + - requirements: docs/requirements.txt diff --git a/docs/Makefile b/docs/Makefile new file mode 100644 index 00000000..e8de94c3 --- /dev/null +++ b/docs/Makefile @@ -0,0 +1,23 @@ +# Minimal makefile for Sphinx documentation +# + +# You can set these variables from the command line, and also +# from the environment for the first two. +SPHINXOPTS ?= +SPHINXBUILD ?= sphinx-build +SOURCEDIR = source +BUILDDIR = build + +# Put it first so that "make" without argument is like "make help". +help: + @$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O) + +.PHONY: help Makefile + +# Catch-all target: route all unknown targets to Sphinx using the new +# "make mode" option. $(O) is meant as a shortcut for $(SPHINXOPTS). +%: Makefile + @$(SPHINXBUILD) -M $@ "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O) + +rebuild: + @ make -s clean html diff --git a/docs/requirements.in b/docs/requirements.in new file mode 100644 index 00000000..4870f28d --- /dev/null +++ b/docs/requirements.in @@ -0,0 +1,2 @@ +sphinx-design==0.4.1 +pydata-sphinx-theme==0.13.3 diff --git a/docs/requirements.txt b/docs/requirements.txt new file mode 100644 index 00000000..dd0bb06f --- /dev/null +++ b/docs/requirements.txt @@ -0,0 +1,80 @@ +# +# This file is autogenerated by pip-compile with python 3.9 +# To update, run: +# +# pip-compile docs/requirements.in +# +accessible-pygments==0.0.4 + # via pydata-sphinx-theme +alabaster==0.7.13 + # via sphinx +babel==2.14.0 + # via + # pydata-sphinx-theme + # sphinx +beautifulsoup4==4.12.2 + # via pydata-sphinx-theme +certifi==2023.11.17 + # via requests +charset-normalizer==3.3.2 + # via requests +docutils==0.19 + # via + # pydata-sphinx-theme + # sphinx +idna==3.6 + # via requests +imagesize==1.4.1 + # via sphinx +importlib-metadata==7.0.1 + # via sphinx +jinja2==3.1.2 + # via sphinx +markupsafe==2.1.3 + # via jinja2 +packaging==23.2 + # via + # pydata-sphinx-theme + # sphinx +pydata-sphinx-theme==0.13.3 + # via -r docs/requirements.in +pygments==2.17.2 + # via + # accessible-pygments + # pydata-sphinx-theme + # sphinx +requests==2.31.0 + # via sphinx +snowballstemmer==2.2.0 + # via sphinx +soupsieve==2.5 + # via beautifulsoup4 +sphinx==6.2.1 + # via + # pydata-sphinx-theme + # sphinx-design + # sphinxcontrib-applehelp + # sphinxcontrib-devhelp + # sphinxcontrib-htmlhelp + # sphinxcontrib-qthelp + # sphinxcontrib-serializinghtml +sphinx-design==0.4.1 + # via -r docs/requirements.in +sphinxcontrib-applehelp==1.0.7 + # via sphinx +sphinxcontrib-devhelp==1.0.5 + # via sphinx +sphinxcontrib-htmlhelp==2.0.4 + # via sphinx +sphinxcontrib-jsmath==1.0.1 + # via sphinx +sphinxcontrib-qthelp==1.0.6 + # via sphinx +sphinxcontrib-serializinghtml==1.1.9 + # via sphinx +typing-extensions==4.9.0 + # via pydata-sphinx-theme +urllib3==2.1.0 + # via requests +zipp==3.17.0 + # via importlib-metadata diff --git a/docs/source/_static/examples/example.specs.csv b/docs/source/_static/examples/example.specs.csv new file mode 100644 index 00000000..d9699c49 --- /dev/null +++ b/docs/source/_static/examples/example.specs.csv @@ -0,0 +1,2 @@ +Battery_Number;Rack_Position;Separator;Electrolyte;Electrolyte 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Ramirez (francisco.ramirez@epfl.ch)", + "Edan Bainglass (edan.bainglass@psi.ch)", + "Giovanni Pizzi (giovanni.pizzi@psi.ch)", +) + +current_year = str(time.localtime().tm_year) +copyright_year_string = current_year \ + if current_year == copyright_first_year \ + else f"{copyright_first_year}-{current_year}" + +copyright = f"{copyright_year_string}. All rights reserved" + +# If true, sectionauthor and moduleauthor directives will be shown in the +# output. They are ignored by default. +show_authors = True + +# -- General configuration --------------------------------------------------- +# https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration + +# The name of the Pygments (syntax highlighting) style to use. +pygments_style = "sphinx" + +# Add any Sphinx extension module names here, as strings. They can be +# extensions coming with Sphinx (named 'sphinx.ext.*') or your custom +# ones. +extensions = [ + "sphinx_design", +] + +# The pydata-sphinx-theme already loads the bootstrap css. +panels_add_bootstrap_css = False + +# Add any paths that contain templates here, relative to this directory. +templates_path = ["_templates"] + +# The suffix of source filenames. +source_suffix = ".rst" + +# The master toctree document. +# ~ master_doc = 'index' +master_doc = "index" + +# List of patterns, relative to source directory, that match files and +# directories to ignore when looking for source files. +# This pattern also affects html_static_path and html_extra_path. +exclude_patterns = [] + +# -- Options for HTML output ------------------------------------------------- + +# The theme to use for HTML and HTML Help pages. See the documentation for +# a list of builtin themes. +# +html_theme = "pydata_sphinx_theme" + +# The name of an image file (relative to this directory) to place at the top +# of the sidebar. +html_logo = "_static/images/full_logo.svg" + +# Add any paths that contain custom static files (such as style sheets) here, +# relative to this directory. They are copied after the builtin static files, +# so a file named "default.css" will overwrite the builtin "default.css". +html_static_path = ["_static"] + +# If true, links to the reST sources are added to the pages. +html_show_sourcelink = False + +# Define common links +rst_epilog = """ +.. _AiiDA: https://www.aiida.net +.. _AiiDAlab: https://www.aiidalab.net/ +.. _tomato: https://dgbowl.github.io/tomato/master/index.html +.. _BIG-MAP App Store: https://big-map.github.io/big-map-registry/apps/aiidalab-aurora.html +""" diff --git a/docs/source/development/index.rst b/docs/source/development/index.rst new file mode 100644 index 00000000..64828ee4 --- /dev/null +++ b/docs/source/development/index.rst @@ -0,0 +1,80 @@ +.. _development: + +Development Guide +################# + +.. note:: + + If you have yet to do so, we recommend you first check out the :ref:`tutorial ` to learn the basics of using the app. + +Aurora is open-source and as such, welcomes community contribution. To contribute to the development of the Aurora ecosystem, we recommend following these steps: + +#. Fork the plugin and app repositories + + * plugin: ``https://github.com/epfl-theos/aiida-aurora.git`` + * app: ``https://github.com/epfl-theos/aiidalab-aurora.git`` + + .. important:: + + Requires a GitHub account. + +#. Install the app **locally** (see :ref:`installation guide `) + + a. Follow the local Docker-based installation guide of AiiDAlab + b. Open AiiDAlab in the browser + c. Open the AiiDAlab terminal and run the following code: + + .. code:: + + mkdir ~/src + + cd ~/src + git clone https://github.com//aiida-aurora.git + cd aiida-aurora + pip install -e .[testing,docs] + + cd ~/apps + git clone https://github.com//aiidalab-aurora.git aurora + cd aurora + pip install -e .[docs] + + mkdir ~/aiida_run + +#. Install *tomato* **locally** - run ``pip install tomato`` from the AiiDAlab terminal +#. Open a separate terminal and run ``tomato -vv`` to start the *tomato* server +#. From the main terminal, run ``ketchup status`` to verify that the server is up +#. Set up AiiDA by running the following from terminal: (see :ref:`aiida setup ` for more information) + + .. code:: + + verdi computer setup \ + --description "localhost running the tomato scheduler" + --label "localhost" + --hostname "localhost" + --transport "core.local" + --scheduler "tomato" + --work_dir "/home/jovyan/aiida_run/" + --mpirun_command "mpirun -np {tot_num_mpiprocs}" + --mpiprocs_per_machine 1 + --shebang "#!/bin/bash" + --prepend_text "" + --append_text "" + + verdi computer configure core.local \ + --safe_interval: 0.0 + --use_login_shell: true + + verdi code create \ + --label "ketchup-local" + --computer "localhost" + --description "ketchup submit" + --input_plugin "aurora.cycler" + --on_computer true + --remote_abs_path "/opt/conda/bin/ketchup" + --use_double_quotes False + --prepend_text "" + --append_text "" + +---- + +Once you finish applying, committing, and pushing your changes, please create a PR to the `epfl-theos` accounts and await review. diff --git a/docs/source/index.rst b/docs/source/index.rst new file mode 100644 index 00000000..65814459 --- /dev/null +++ b/docs/source/index.rst @@ -0,0 +1,128 @@ +:sd_hide_title: + +Welcome Page +############ + +.. grid:: + + .. grid-item:: + :columns: 12 + + Version |release| + + .. grid-item:: + :columns: 12 8 8 8 + :child-align: justify + :class: sd-fs-5 + + .. rubric:: Aurora - Autonomous Robotic Battery Innovation Platform + + The Aurora app is an `AiiDAlab`_ Jupyter-based graphical user interface allowing users to build and submit battery cycling experiments leveraging the Aurora plugin to the `AiiDA`_ workflow management platform and the `tomato`_ instrument automation package. + + + .. grid-item:: + :columns: 12 4 4 4 + + .. image:: _static/images/icon.svg + :width: 200px + :class: sd-m-auto + +---- + +.. grid:: 1 1 2 2 + :gutter: 3 + + .. grid-item-card:: Installation Guide + :text-align: center + :shadow: md + + Access AiiDAlab and install the app + + ++++ + + .. button-ref:: installation/index + :ref-type: doc + :click-parent: + :expand: + :color: primary + :outline: + + To the installation guide + + .. grid-item-card:: Tutorial + :text-align: center + :shadow: md + + Learn the basic app features + + ++++ + + .. button-ref:: tutorial/index + :ref-type: doc + :click-parent: + :expand: + :color: primary + :outline: + + To the tutorial + + .. grid-item-card:: Development + :text-align: center + :shadow: md + + Learn how to develop the app + + ++++ + + .. button-ref:: development/index + :ref-type: doc + :click-parent: + :expand: + :color: primary + :outline: + + To the development guide + + .. grid-item-card:: Report an Issue + :text-align: center + :shadow: md + + Found a bug? You can report issues here + + ++++ + + .. button-ref:: report + :ref-type: doc + :click-parent: + :expand: + :color: primary + :outline: + + To report an issue + +.. toctree:: + :maxdepth: 1 + :hidden: + + installation/index + tutorial/index + development/index + report + +---- + +How to cite +*********** + +If you use the app for research, please follow these links to: + +- `cite AiiDA `_ +- `cite AiiDAlab `_ +- `cite Aurora `_ + +---- + +Acknowledgements +**************** + +The Aurora project is supported by the BIG-MAP Stakeholder Initiative. You can find the app on the `BIG-MAP App Store`_. We acknowledge both the `AiiDA`_ and `AiiDAlab`_ teams for developing the platforms leveraged by the Aurora app. diff --git a/docs/source/installation/index.rst b/docs/source/installation/index.rst new file mode 100644 index 00000000..9dfddf4f --- /dev/null +++ b/docs/source/installation/index.rst @@ -0,0 +1,164 @@ +.. _installation: + +Installation Guide +################## + +Aurora operates a two-way workflow between the `tomato`_ instrument automation software and the `AiiDA`_ platform accessed via its `AiiDAlab`_ graphical user interface. As such, to use Aurora, each of these components must be installed and configured. The sections below will walk you through setting each of these up. + +Tomato +****** + +Installing and setting up *tomato* is done on a separate Windows server connected to the BioLogic potantiostats. Instructions can be found in the `tomato`_ documentation, specifically the *installation* and *quickstart* sections. + +AiiDAlab and Aurora +******************* + +Installing the AiiDAlab Aurora app involves the following steps: + +#. Accessing the AiiDAlab platform +#. Installing the Aurora app +#. Configuring the environment + +.. tip:: + + A live installation guide is available on the `BIG-MAP App Store`_ following the local Docker-based method. + +Access AiiDAlab +=============== + +There are several means of accessing the platform. Instructions best suited for your scenario can be found on the `Access AIiDAlab`_ section of AiiDAlab's documentation. Once set up, you may access AiiDAlab via a browser. + +Install Aurora +============== + +AiiDAlab comes with its own app store for easy installation. + +.. figure:: /_static/images/nav-bar-app-store.png + :width: 12cm + +General instructions for installing AiiDAlab apps can be found on the `App Store`_ section of AiiDAlab's documentation. Once AiiDAlab is accessed and launched on a browser, you may search for *Aurora* in the app store and proceed with installation. + +Once the app is installed, it will appear on the home page. + +.. figure:: /_static/images/homepage-app-banner.png + :width: 12cm + +Configure the environment +========================= + +Lastly, we need to configure a few things in the environment to support the app. + +Passwordless SSH Access +----------------------- + +AiiDA requires passwordless ssh access to the *tomato* server in order to periodically poll its jobs. This requires you generate an ssh key pair locally and deploy the public key onto the remote server. To set this up, open a terminal from the AiiDAlab home page. + +.. figure:: /_static/images/nav-bar-terminal.png + :width: 12cm + +Run the following code in terminal: + +.. code:: + + cd + ssh-keygen + cat ~/.ssh/id_rsa.pub + +This will generate the key pair and output the contents of the public key in the terminal. Copy the key hash output (``ssh-rsa ... jovyan@``) and paste it in ``C:\Users\USERNAME\.ssh\authorized_keys``, or, if you are admin on the server, in ``C:\ProgramData\ssh\administrator_authorized_keys``. + +To test that the access has been properly set up, run the following in terminal: + +.. code:: + + ssh -i ~/.ssh/id_rsa @ + +If passwordless access was correctly set up, it will not prompt you for your credentials. + +.. _aiida_setup: + +AiiDA Database Setup +-------------------- + +Lastly, we need to setup the AiiDA database with reference nodes to the *tomato* server and the path to the *ketchup* executable (*tomato*'s command-line tool) on the server. These will be used by AiiDA during cycling experiments. + +.. important:: + + In the following code, replace ``label`` and ``hostname`` with corresponding values for your case. ``hostname`` should match the network name associated with the server. ``label`` can be any name you wish to associate with the *computer* node. The label is used in setting up the *code* node. + +.. tip:: + + For more advanced (and interested) users, instead of running the provided code, you can run ``verdi computer setup``, ``verdi computer configure ssh2win``, and ``verdi code create``. Each command will walk you through its respective steps and provide additional information on request. + +Computer +^^^^^^^^ + +The *computer* node is a reference to the remote machine (the *tomato* server). Run the following code to set it up. + +.. code:: + + verdi computer setup \ + --label "