From f4b9fb062fcfb7dd81c05834de043ee3e771be61 Mon Sep 17 00:00:00 2001 From: Daniel Pozsar Date: Sat, 9 Nov 2024 12:08:31 +0100 Subject: [PATCH] created documentation based on sisl --- .readthedocs.yaml | 37 + README.md | 1 + docs/{source => }/Makefile | 0 docs/_build/doctrees/bibliography.doctree | Bin 0 -> 2701 bytes .../doctrees/changelog/index.doctree} | Bin 2745 -> 2608 bytes docs/_build/doctrees/cite.doctree | Bin 0 -> 2617 bytes docs/_build/doctrees/dev/index.doctree | Bin 0 -> 2658 bytes docs/_build/doctrees/environment.doctree | Bin 0 -> 2515 bytes docs/_build/doctrees/environment.pickle | Bin 0 -> 29369 bytes .../doctrees/implementation/index.doctree | Bin 0 -> 2496 bytes docs/_build/doctrees/index.doctree | Bin 0 -> 9502 bytes docs/_build/doctrees/introduction.doctree | Bin 0 -> 4863 bytes docs/_build/doctrees/quickstart/index.doctree | Bin 0 -> 5084 bytes docs/_build/doctrees/tutorials/index.doctree | Bin 0 -> 2608 bytes docs/{source => }/_build/html/.buildinfo | 2 +- 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docs/source/_build/html/genindex.html delete mode 100644 docs/source/_build/html/grogu.html delete mode 100644 docs/source/_build/html/modules.html delete mode 100644 docs/source/_build/html/objects.inv delete mode 100644 docs/source/_build/html/searchindex.js delete mode 100644 docs/source/grogu.rst delete mode 100644 docs/source/index.rst delete mode 100644 docs/source/make.bat delete mode 100644 docs/source/modules.rst create mode 100644 docs/tutorials/index.rst diff --git a/.readthedocs.yaml b/.readthedocs.yaml new file mode 100644 index 0000000..49c98f6 --- /dev/null +++ b/.readthedocs.yaml @@ -0,0 +1,37 @@ +# 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: macOS-15.0.1 + tools: + python: "3.9" + # You can also specify other tool versions: + # nodejs: "20" + # rust: "1.70" + # golang: "1.20" + +# Build documentation in the "docs/" directory with Sphinx +sphinx: + builder: html + configuration: docs/conf.py + # You can configure Sphinx to use a different builder, for instance use the dirhtml builder for simpler URLs + # builder: "dirhtml" + # Fail on all warnings to avoid broken references + fail_on_warning: true + +# 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 + - requirements: requirements.txt diff --git a/README.md b/README.md index b61db61..fd35883 100644 --- a/README.md +++ b/README.md @@ -6,6 +6,7 @@ More on the theoretical background can be seen on [arXiv](https://arxiv.org/abs/ - Run tests on different magnetic materials and compare it to Grogu Matlab --> ran on 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When it is not found, a full rebuild will be done. -config: d8f86c3651bae6bbb2cfa348920c9196 +config: 320e5b6dc420902025e0d306c97e86be tags: 645f666f9bcd5a90fca523b33c5a78b7 diff --git a/docs/_build/html/_sources/bibliography.rst.txt b/docs/_build/html/_sources/bibliography.rst.txt new file mode 100644 index 0000000..c6a4c94 --- /dev/null +++ b/docs/_build/html/_sources/bibliography.rst.txt @@ -0,0 +1,4 @@ +Bibliography +============ + +.. bibliography:: bibliography.bib \ No newline at end of file diff --git a/docs/_build/html/_sources/changelog/index.rst.txt b/docs/_build/html/_sources/changelog/index.rst.txt new file mode 100644 index 0000000..e80bcbb --- /dev/null +++ b/docs/_build/html/_sources/changelog/index.rst.txt @@ -0,0 +1,4 @@ +Changelog +========= + +Coming soon... \ No newline at end of file diff --git a/docs/_build/html/_sources/cite.rst.txt b/docs/_build/html/_sources/cite.rst.txt new file mode 100644 index 0000000..9da1459 --- /dev/null +++ b/docs/_build/html/_sources/cite.rst.txt @@ -0,0 +1,4 @@ +Citing grogupy +============== + +Coming soon... \ No newline at end of file diff --git a/docs/_build/html/_sources/dev/index.rst.txt b/docs/_build/html/_sources/dev/index.rst.txt new file mode 100644 index 0000000..83ad848 --- /dev/null +++ b/docs/_build/html/_sources/dev/index.rst.txt @@ -0,0 +1,4 @@ +Contributing to grogupy +======================= + +Coming soon... \ No newline at end of file diff --git a/docs/_build/html/_sources/environment.rst.txt b/docs/_build/html/_sources/environment.rst.txt new file mode 100644 index 0000000..73ff15a --- /dev/null +++ b/docs/_build/html/_sources/environment.rst.txt @@ -0,0 +1,2 @@ +Environment variables +===================== \ No newline at end of file diff --git a/docs/_build/html/_sources/implementation/index.rst.txt b/docs/_build/html/_sources/implementation/index.rst.txt new file mode 100644 index 0000000..2e4c4a7 --- /dev/null +++ b/docs/_build/html/_sources/implementation/index.rst.txt @@ -0,0 +1,2 @@ +Implementation +============== \ No newline at end of file diff --git a/docs/_build/html/_sources/index.rst.txt b/docs/_build/html/_sources/index.rst.txt new file mode 100644 index 0000000..ada1368 --- /dev/null +++ b/docs/_build/html/_sources/index.rst.txt @@ -0,0 +1,74 @@ +.. grogupy documentation master file, created by + sphinx-quickstart on Thu Oct 10 17:10:03 2024. + You can adapt this file completely to your liking, but it should at least + contain the root `toctree` directive. + + +.. module:: grogupy + +.. title:: grogupy: Script for calculating magnetic interactions +.. meta:: + :description: Relativistic magnetic interactions from non-orthogonal basis sets. + :keywords: DFT, physics, grogu, magnetic interactions, Siesta + + +grogupy: Script for calculating magnetic interactions +===================================================== + +Groupy is a generalized python script based on the Grogu matlab implementation. +More on the theoretical background can be seen `here `_. + +.. grid:: 1 1 2 2 + :gutter: 2 + + .. grid-item-card:: -- Quick-start guides + :link: quickstart/index + :link-type: doc + + Basic tutorial on how to use the `grogupy` script. + + .. grid-item-card:: -- Implementation + :link: implementation/index + :link-type: doc + + Detailed description of the implementation. + + +.. toctree:: + :hidden: + :maxdepth: 2 + :caption: Getting started + + introduction + quickstart/index + cite + +.. toctree:: + :hidden: + :maxdepth: 2 + :caption: User Guide + + tutorials/index + +.. toctree:: + :hidden: + :maxdepth: 2 + :caption: Advanced usage + + implementation/index + environment + +.. toctree:: + :hidden: + :maxdepth: 2 + :caption: Development + + dev/index + +.. toctree:: + :hidden: + :maxdepth: 3 + :caption: Extras + + changelog/index + bibliography \ No newline at end of file diff --git a/docs/_build/html/_sources/introduction.rst.txt b/docs/_build/html/_sources/introduction.rst.txt new file mode 100644 index 0000000..4acbfb8 --- /dev/null +++ b/docs/_build/html/_sources/introduction.rst.txt @@ -0,0 +1,17 @@ +Introduction +============ + +The format of the documentation was based on and inspired by `sisl `_. +1. + +2. + +Package +------- + +Go to :ref:`installation `. + +Command line usage +------------------ + +Coming soon... \ No newline at end of file diff --git a/docs/_build/html/_sources/quickstart/index.rst.txt b/docs/_build/html/_sources/quickstart/index.rst.txt new file mode 100644 index 0000000..9eb66d9 --- /dev/null +++ b/docs/_build/html/_sources/quickstart/index.rst.txt @@ -0,0 +1,21 @@ +Quickstart +========== + +installation +------------ + +.. grid:: 1 2 2 2 + :gutter: 4 + + .. grid-item-card:: pip + :columns: 12 12 6 6 + + grogupy can be installed via pip from `Test PyPI `_. + + ++++ + + .. code-block:: bash + + python3 -m pip install --index-url https://test.pypi.org/simple/ grogupy + +Coming soon... \ No newline at end of file diff --git a/docs/_build/html/_sources/tutorials/index.rst.txt b/docs/_build/html/_sources/tutorials/index.rst.txt new file mode 100644 index 0000000..89fe72c --- /dev/null +++ b/docs/_build/html/_sources/tutorials/index.rst.txt @@ -0,0 +1,4 @@ +Tutorials +========= + +Coming soon... \ No newline at end of file diff --git a/docs/_build/html/_sphinx_design_static/design-tabs.js b/docs/_build/html/_sphinx_design_static/design-tabs.js new file mode 100644 index 0000000..b25bd6a --- /dev/null +++ b/docs/_build/html/_sphinx_design_static/design-tabs.js @@ -0,0 +1,101 @@ +// @ts-check + +// Extra JS capability for selected tabs to be synced +// The selection is stored in local storage so that it persists across page loads. + +/** + * @type {Record} + */ +let sd_id_to_elements = {}; +const storageKeyPrefix = "sphinx-design-tab-id-"; + +/** + * Create a key for a tab element. + * @param {HTMLElement} el - The tab element. + * @returns {[string, string, string] | 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"--" + syncId]; +} + +/** + * Initialize the tab selection. + * + */ +function ready() { + // Find all tabs with sync data + + /** @type {string[]} */ + let groups = []; + + document.querySelectorAll(".sd-tab-label").forEach((label) => { + if (label instanceof HTMLElement) { + let data = create_key(label); + if (data) { + let [group, id, key] = data; + + // add click event listener + // @ts-ignore + label.onclick = onSDLabelClick; + + // store map of key to elements + if (!sd_id_to_elements[key]) { + sd_id_to_elements[key] = []; + } + sd_id_to_elements[key].push(label); + + if (groups.indexOf(group) === -1) { + groups.push(group); + // Check if a specific tab has been selected via URL parameter + const tabParam = new URLSearchParams(window.location.search).get( + group + ); + if (tabParam) { + console.log( + "sphinx-design: Selecting tab id for group '" + + group + + "' from URL parameter: " + + tabParam + ); + window.sessionStorage.setItem(storageKeyPrefix + group, tabParam); + } + } + + // Check is a specific tab has been selected previously + let previousId = window.sessionStorage.getItem( + storageKeyPrefix + group + ); + if (previousId === id) { + // console.log( + // "sphinx-design: Selecting tab from session storage: " + id + // ); + // @ts-ignore + label.previousElementSibling.checked = true; + } + } + } + }); +} + +/** + * Activate other tabs with the same sync id. + * + * @this {HTMLElement} - The element that was clicked. + */ +function onSDLabelClick() { + let data = create_key(this); + if (!data) return; + let [group, id, key] = data; + for (const label of sd_id_to_elements[key]) { + if (label === this) continue; + // @ts-ignore + label.previousElementSibling.checked = true; + } + window.sessionStorage.setItem(storageKeyPrefix + group, id); +} + +document.addEventListener("DOMContentLoaded", ready, false); diff --git a/docs/source/_build/html/_static/doctools.js b/docs/_build/html/_static/doctools.js similarity index 100% rename from docs/source/_build/html/_static/doctools.js rename to docs/_build/html/_static/doctools.js diff --git a/docs/source/_build/html/_static/documentation_options.js b/docs/_build/html/_static/documentation_options.js similarity index 92% rename from docs/source/_build/html/_static/documentation_options.js rename to docs/_build/html/_static/documentation_options.js index 7e0cecc..89435bb 100644 --- a/docs/source/_build/html/_static/documentation_options.js +++ b/docs/_build/html/_static/documentation_options.js @@ -1,5 +1,5 @@ const DOCUMENTATION_OPTIONS = { - VERSION: '0.0.1', + VERSION: '1.0.0', LANGUAGE: 'en', COLLAPSE_INDEX: false, BUILDER: 'html', @@ -10,4 +10,4 @@ const DOCUMENTATION_OPTIONS = { NAVIGATION_WITH_KEYS: false, SHOW_SEARCH_SUMMARY: true, ENABLE_SEARCH_SHORTCUTS: true, -}; +}; \ No newline at end of file diff --git a/docs/source/_build/html/_static/file.png b/docs/_build/html/_static/file.png similarity index 100% rename from docs/source/_build/html/_static/file.png rename 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to docs/_build/html/_static/sphinx_highlight.js diff --git a/docs/source/_build/html/index.html b/docs/_build/html/bibliography.html similarity index 52% rename from docs/source/_build/html/index.html rename to docs/_build/html/bibliography.html index 1c2feba..7487daf 100644 --- a/docs/source/_build/html/index.html +++ b/docs/_build/html/bibliography.html @@ -6,32 +6,34 @@ - asd documentation — Grogu 0.0.1 documentation + Bibliography — grogupy 1.0.0 documentation + - + - + + - + - +