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* 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`
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--- | ||
# Read the Docs configuration file for Sphinx projects | ||
# See https://docs.readthedocs.io/en/stable/config-file/v2.html for details | ||
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# Required | ||
version: 2 | ||
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# Set the OS, Python version and other tools you might need | ||
build: | ||
os: ubuntu-22.04 | ||
tools: | ||
python: '3.9' | ||
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# Build documentation in the "docs/" directory with Sphinx | ||
sphinx: | ||
configuration: docs/source/conf.py | ||
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# Optionally build your docs in additional formats such as PDF and ePub | ||
# formats: | ||
# - epub | ||
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# 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 |
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# Minimal makefile for Sphinx documentation | ||
# | ||
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# 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 | ||
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# Put it first so that "make" without argument is like "make help". | ||
help: | ||
@$(SPHINXBUILD) -M help "$(SOURCEDIR)" "$(BUILDDIR)" $(SPHINXOPTS) $(O) | ||
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.PHONY: help Makefile | ||
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# 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) | ||
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rebuild: | ||
@ make -s clean html |
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sphinx-design==0.4.1 | ||
pydata-sphinx-theme==0.13.3 |
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# | ||
# 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 |
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Battery_Number;Rack_Position;Separator;Electrolyte;Electrolyte Position;Electrolyte Amount;Anode Position;Anode Type;Anode Diameter;Anode Weight;Anode Current Collector Weight (mg);Anode AM Content;Anode AM Weight (mg);Anode Practical Capacity (mAh/g);Anode Capacity (mAh);Cathode Position;Cathode Type;Cathode Diameter (mm);Cathode Weight (mg);Cathode Current Collector Weight (mg);Cathode AM Content;Cathode AM Weight (mg);Cathode Practical Capacity (mAh/g);Cathode Capacity (mAh);Target N:P Ratio;Actual N:P Ratio;Casing Type;Separator Diameter (mm);Spacer (mm);Comments;Barcode;Subbatch | ||
1;1;Whatman;1M LiPF6;1;100;28;Graphite;15;27.78;10;0;0;355;0;33;NMC622;14;17.1;8;0;0;160;0;1.2;-;2032;16;1;-;Barcode Not Read;0 |
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# Configuration file for the Sphinx documentation builder. | ||
# | ||
# For the full list of built-in configuration values, see the documentation: | ||
# https://www.sphinx-doc.org/en/master/usage/configuration.html | ||
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# -- Imports ----------------------------------------------------------------- | ||
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import time | ||
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# -- Project information ----------------------------------------------------- | ||
# https://www.sphinx-doc.org/en/master/usage/configuration.html#project-information | ||
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project = "AiiDAlab-Aurora" | ||
author = "Edan Bainglass" | ||
release = "0.11.1" | ||
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copyright_first_year = "2021" | ||
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copyright_owners = ( | ||
"Loris Ercole ([email protected])", | ||
"Francisco F. Ramirez ([email protected])", | ||
"Edan Bainglass ([email protected])", | ||
"Giovanni Pizzi ([email protected])", | ||
) | ||
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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}" | ||
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copyright = f"{copyright_year_string}. All rights reserved" | ||
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# If true, sectionauthor and moduleauthor directives will be shown in the | ||
# output. They are ignored by default. | ||
show_authors = True | ||
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# -- General configuration --------------------------------------------------- | ||
# https://www.sphinx-doc.org/en/master/usage/configuration.html#general-configuration | ||
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# The name of the Pygments (syntax highlighting) style to use. | ||
pygments_style = "sphinx" | ||
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# 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", | ||
] | ||
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# The pydata-sphinx-theme already loads the bootstrap css. | ||
panels_add_bootstrap_css = False | ||
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# Add any paths that contain templates here, relative to this directory. | ||
templates_path = ["_templates"] | ||
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# The suffix of source filenames. | ||
source_suffix = ".rst" | ||
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# The master toctree document. | ||
# ~ master_doc = 'index' | ||
master_doc = "index" | ||
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# 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 = [] | ||
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# -- Options for HTML output ------------------------------------------------- | ||
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# The theme to use for HTML and HTML Help pages. See the documentation for | ||
# a list of builtin themes. | ||
# | ||
html_theme = "pydata_sphinx_theme" | ||
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# 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" | ||
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# 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"] | ||
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# If true, links to the reST sources are added to the pages. | ||
html_show_sourcelink = False | ||
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# 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 | ||
""" |
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.. _development: | ||
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Development Guide | ||
################# | ||
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.. note:: | ||
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If you have yet to do so, we recommend you first check out the :ref:`tutorial <tutorial>` to learn the basics of using the app. | ||
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Aurora is open-source and as such, welcomes community contribution. To contribute to the development of the Aurora ecosystem, we recommend following these steps: | ||
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#. Fork the plugin and app repositories | ||
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* plugin: ``https://github.com/epfl-theos/aiida-aurora.git`` | ||
* app: ``https://github.com/epfl-theos/aiidalab-aurora.git`` | ||
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.. important:: | ||
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Requires a GitHub account. | ||
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#. Install the app **locally** (see :ref:`installation guide <installation>`) | ||
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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: | ||
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.. code:: | ||
mkdir ~/src | ||
cd ~/src | ||
git clone https://github.com/<your-github-username>/aiida-aurora.git | ||
cd aiida-aurora | ||
pip install -e .[testing,docs] | ||
cd ~/apps | ||
git clone https://github.com/<your-github-username>/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 <aiida_setup>` for more information) | ||
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.. 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 "" | ||
---- | ||
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Once you finish applying, committing, and pushing your changes, please create a PR to the `epfl-theos` accounts and await review. |
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