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Preparing a new release #163

Merged
merged 10 commits into from
Aug 7, 2024
Merged

Preparing a new release #163

merged 10 commits into from
Aug 7, 2024

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AntObi
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@AntObi AntObi commented Aug 7, 2024

Preparing a new release

Description

  • Bump up version number
  • Add actions to automate building docs
  • Enable downloading of notebooks from documentation site
  • Add documentation for utils module

Type of change

  • Bug fix (non-breaking change which fixes an issue)
  • New feature (non-breaking change which adds functionality)
  • This change requires a documentation update

How Has This Been Tested?

  • Local versions of the documentation have been examined

Test Configuration:

  • Python version: 3.10
  • Operating System: macOS

Reviewers

N/A

Checklist:

  • My code follows the style guidelines of this project
  • I have performed a self-review of my own code
  • I have commented my code, particularly in hard-to-understand areas
  • I have made corresponding changes to the documentation
  • My changes generate no new warnings
  • I have added tests that prove my fix is effective or that my feature works
  • New and existing unit tests pass locally with my changes
  • Any dependent changes have been merged and published in downstream modules
  • I have checked my code and corrected any misspellings

Summary by CodeRabbit

  • New Features

    • Introduced automated workflows for building and publishing documentation upon code changes and new releases.
    • Added download functionality for notebook files in the documentation template.
    • Created dedicated documentation for new utility modules: io, math, and species.
  • Documentation Updates

    • Enhanced README with clearer installation instructions and expanded package description.
    • Improved clarity and accessibility of the contribution guidelines.
    • Updated mkdocs.yml for better navigation structure and default version setting.
  • Versioning and Dependency Management

    • Incremented package version to 0.6 and updated dependencies for improved flexibility.

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coderabbitai bot commented Aug 7, 2024

Walkthrough

The recent updates enhance the documentation and deployment processes for the Element Embeddings package. Key additions include automated workflows for documentation deployment using GitHub Actions, improved installation instructions, and enhanced clarity in the README and other documentation files. These changes aim to streamline user experience and accessibility while ensuring that the latest features and updates are effectively communicated.

Changes

Files Change Summary
.github/workflows/latest_docs.yml, .github/workflows/stable_docs.yml New workflows automate documentation deployment on pushes and releases.
README.md Updated package description, installation instructions, and path corrections for representation schemes.
docs/.overrides/main.html Added a download link for notebook files if available.
docs/contribution.md Enhanced links and instructions for adding representation schemes.
docs/index.md Introduced a new section for elementembeddings.utils utilities documentation.
docs/python_api/utils/*.md New documentation files for io, math, and species modules enhancing clarity and usability.
mkdocs.yml Added navigation for new utility modules and corrected spelling errors in navigation names.
requirements-dev.txt Changed version constraints to minimum requirements for several packages, improving flexibility.
setup.py Incremented version number and added new package data for species representations.
src/elementembeddings/core.py Enhanced documentation for the load_data function's parameters with additional context.
src/elementembeddings/utils/__init__.py Expanded module-level docstring to detail exported utilities.
src/elementembeddings/utils/config.py Minor formatting change with an added blank line.

Sequence Diagram(s)

sequenceDiagram
    participant User
    participant GitHub
    participant MkDocs
    participant Repo

    User->>GitHub: Push changes to main
    GitHub->>Repo: Trigger workflow
    Repo->>MkDocs: Build documentation
    MkDocs->>Repo: Deploy documentation to site
    Repo->>GitHub: Push updated docs to develop
Loading

🐰✨ "In fields of code where rabbits leap,
New docs abound, their secrets keep.
With workflows swift and paths now clear,
Hop along, dear friends, no fear!
For every change, a story told,
In every byte, new wonders unfold!" 🌼🥕


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codecov bot commented Aug 7, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 90.75%. Comparing base (de801e9) to head (b27d32e).
Report is 1 commits behind head on main.

Additional details and impacted files
@@           Coverage Diff           @@
##             main     #163   +/-   ##
=======================================
  Coverage   90.75%   90.75%           
=======================================
  Files          12       12           
  Lines        1266     1266           
=======================================
  Hits         1149     1149           
  Misses        117      117           

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

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Actionable comments posted: 1

Outside diff range, codebase verification and nitpick comments (3)
docs/.overrides/main.html (1)

8-8: Remove unnecessary blank lines.

There are multiple unnecessary blank lines that can be removed to improve readability.

{% endblock %}

-


{% block content %}
.github/workflows/latest_docs.yml (1)

1-1: Ensure correct naming conventions.

The workflow name should be more descriptive and consistent with naming conventions.

-name: Build/Publish Develop Docs 
+name: Build and Publish Documentation
docs/contribution.md (1)

18-18: Add missing article "the".

Consider adding the article "the" before "docstring table" for better readability.

- 2. Edit docstring table in [core.py](https://github.com/WMD-group/ElementEmbeddings/tree/main/src/elementembeddings/core.py).
+ 2. Edit the docstring table in [core.py](https://github.com/WMD-group/ElementEmbeddings/tree/main/src/elementembeddings/core.py).
Tools
LanguageTool

[uncategorized] ~18-~18: You might be missing the article “the” here.
Context: .../data/element_representations). 2. Edit docstring table in [core.py](https://github.com/W...

(AI_EN_LECTOR_MISSING_DETERMINER_THE)

Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

Commits

Files that changed from the base of the PR and between f456ffb and b27d32e.

Files selected for processing (15)
  • .github/workflows/latest_docs.yml (1 hunks)
  • .github/workflows/stable_docs.yml (1 hunks)
  • README.md (3 hunks)
  • docs/.overrides/main.html (1 hunks)
  • docs/contribution.md (1 hunks)
  • docs/index.md (1 hunks)
  • docs/python_api/utils/io.md (1 hunks)
  • docs/python_api/utils/math.md (1 hunks)
  • docs/python_api/utils/species.md (1 hunks)
  • mkdocs.yml (2 hunks)
  • requirements-dev.txt (1 hunks)
  • setup.py (3 hunks)
  • src/elementembeddings/core.py (1 hunks)
  • src/elementembeddings/utils/init.py (1 hunks)
  • src/elementembeddings/utils/config.py (1 hunks)
Files skipped from review due to trivial changes (7)
  • docs/python_api/utils/io.md
  • docs/python_api/utils/math.md
  • docs/python_api/utils/species.md
  • requirements-dev.txt
  • src/elementembeddings/core.py
  • src/elementembeddings/utils/init.py
  • src/elementembeddings/utils/config.py
Additional context used
yamllint
mkdocs.yml

[warning] 20-20: wrong indentation: expected 12 but found 8

(indentation)


[error] 23-23: trailing spaces

(trailing-spaces)


[warning] 24-24: wrong indentation: expected 10 but found 6

(indentation)

LanguageTool
docs/contribution.md

[uncategorized] ~18-~18: You might be missing the article “the” here.
Context: .../data/element_representations). 2. Edit docstring table in [core.py](https://github.com/W...

(AI_EN_LECTOR_MISSING_DETERMINER_THE)

Additional comments not posted (20)
docs/.overrides/main.html (1)

13-17: Conditional block for notebook download looks good.

The conditional block for checking page.nb_url and rendering a download link is correctly implemented.

docs/index.md (1)

19-20: Documentation enhancements for elementembeddings.utils look good.

The additions of :docstring: and :members: directives enhance the documentation by providing detailed information about the utilities.

.github/workflows/latest_docs.yml (3)

2-5: Trigger on main branch looks good.

The workflow is correctly set to trigger on pushes to the main branch.


6-7: Permissions settings are appropriate.

The permissions settings for contents: write are appropriate for this workflow.


10-27: Workflow steps look good.

The steps for checking out the repository, setting up Python, installing dependencies, configuring Git, and deploying the documentation are correctly implemented.

.github/workflows/stable_docs.yml (7)

1-5: LGTM!

The workflow name and release triggers are appropriate.


7-8: LGTM!

The permissions are appropriate for deploying documentation.


10-15: LGTM!

The step correctly checks out the repository with full history.


16-18: LGTM!

The step correctly sets up Python 3.10.


19-22: LGTM!

The step correctly installs the necessary dependencies.


23-26: LGTM!

The step correctly configures Git for the deployment.


27-28: LGTM!

The step correctly builds and deploys the documentation using mike.

mkdocs.yml (2)

19-22: LGTM!

The changes to the navigation structure improve the organization and accessibility of the documentation.

Also applies to: 27-27

Tools
yamllint

[warning] 20-20: wrong indentation: expected 12 but found 8

(indentation)


48-48: LGTM!

The addition of the default version improves the documentation configuration.

setup.py (3)

8-8: LGTM!

The version increment is appropriate for the new release.


28-28: LGTM!

The addition of the new entry in package_data ensures that the necessary data files are included in the package.


63-63: LGTM!

The addition of the new dependency enhances the documentation capabilities.

README.md (3)

14-14: LGTM!

The update to specify that the package provides tools for analyzing both elemental and ionic species embeddings data is clear and accurate.


58-58: LGTM!

The update to the pip installation command to include documentation and development dependencies is clear and improves usability.


175-175: LGTM!

The clarification of the path for updating the README file when adding a new representation scheme ensures accuracy and accessibility.

@@ -16,11 +16,15 @@ nav:
- 'Core module': 'python_api/core.md'
- 'Composition module': 'python_api/composition.md'
- 'Plotter module': 'python_api/plotter.md'
- 'Utility module':
- 'io': python_api/utils/io.md
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Fix indentation and trailing spaces.

There are issues with indentation and trailing spaces in the nav section.

-        - 'io': python_api/utils/io.md
+          - 'io': python_api/utils/io.md

-      - name: Setup Docs Deploy
+      - name: Setup Docs Deploy

-    - 'Ionic Speices (notebook)': tutorial/species.ipynb
+    - 'Ionic Species (notebook)': tutorial/species.ipynb

Also applies to: 23-23, 24-24

Tools
yamllint

[warning] 20-20: wrong indentation: expected 12 but found 8

(indentation)

@AntObi AntObi merged commit 9595338 into main Aug 7, 2024
15 checks passed
@AntObi AntObi deleted the 0.6 branch August 7, 2024 11:36
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