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fix: change project.entry-points.console_scripts to project.scripts in pyproject.toml #743

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merged 1 commit into from
Oct 23, 2024

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@njzjz njzjz commented Oct 22, 2024

project.entry-points.console_scripts is not allowed per PEP 621.

Summary by CodeRabbit

  • New Features

    • Updated the command entry point for the dpdata tool for improved accessibility.
  • Chores

    • Organized optional dependencies for better clarity and management.
    • Maintained existing configurations for tools and package data without functional changes.

…s` in `pyproject.toml`

`project.entry-points.console_scripts` is not allowed per [PEP 621](https://peps.python.org/pep-0621/).
@njzjz njzjz changed the title fix: change project.entry-points.console_scripts to `project.script… fix: change project.entry-points.console_scripts to project.scripts in pyproject.toml Oct 22, 2024
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coderabbitai bot commented Oct 22, 2024

📝 Walkthrough

Walkthrough

The changes in the pull request involve modifications to the pyproject.toml file for the "dpdata" project. Key updates include restructuring the entry points for console scripts, organizing optional dependencies, retaining existing tool configurations, and specifying package data. The entry point for the command dpdata is now defined under [project.scripts], and optional dependencies are categorized for various purposes such as testing and documentation.

Changes

File Change Summary
pyproject.toml - Modified entry point from [project.entry-points.console_scripts] to [project.scripts] with dpdata = "dpdata.cli:dpdata_cli".
- Organized optional dependencies under [project.optional-dependencies] for testing, ase, amber, pymatgen, docs, and benchmark.
- Retained configurations for setuptools, isort, ruff, and pyright without changes.
- Specified package data to include JSON files and updated package finding configuration to include dpdata*.

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Actionable comments posted: 0

🧹 Outside diff range and nitpick comments (1)
pyproject.toml (1)

Line range hint 89-146: Consider addressing the TODO documentation rules in future updates.

The tool configurations are well-structured, but there are several ignored documentation rules marked as TODO:

  • D100-D105: Missing docstrings in various contexts
  • D401: First line imperative mood
  • D404: First word conventions

While not blocking for this PR, these could be addressed in a future update to improve code documentation.

📜 Review details

Configuration used: CodeRabbit UI
Review profile: CHILL

📥 Commits

Files that changed from the base of the PR and between d1f1b98 and 4d960b1.

📒 Files selected for processing (1)
  • pyproject.toml (1 hunks)
🧰 Additional context used
🔇 Additional comments (2)
pyproject.toml (2)

Line range hint 17-38: LGTM! Well-structured dependencies with clear constraints.

The dependencies are properly organized with:

  • Clear separation between core and optional dependencies
  • Well-documented version constraints (especially the numpy constraint for tests)
  • Appropriate Python version requirements

Also applies to: 44-67


40-41: LGTM! Entry point configuration updated to follow PEP 621.

The change from project.entry-points.console_scripts to project.scripts correctly implements PEP 621 compliance while maintaining the same functionality.

Let's verify there are no other entry points that need similar updates:

✅ Verification successful

Let me try a different approach to verify if there are any remaining entry points configurations that need updates.

This will help us:

  1. Find any setup.py files that might contain legacy entry points configuration
  2. Locate all pyproject.toml files in the project
  3. Examine the content of pyproject.toml files to ensure all entry points are properly configured

Entry point configuration update is partially complete

The verification revealed that while the main pyproject.toml correctly uses the new PEP 621 project.scripts format, there are still entry points using the old format in plugin-related files:

  • plugin_example/pyproject.toml: Uses project.entry-points.'dpdata.plugins'
  • tests/plugin/pyproject.toml: Uses project.entry-points.'dpdata.plugins'

However, it's important to note that these are different types of entry points. The dpdata.plugins entry points are for plugin registration, which is different from console scripts. The PEP 621 migration specifically targets console scripts, so these plugin entry points should remain as they are.

🏁 Scripts executed

The following scripts were executed for the analysis:

Script:

#!/bin/bash
# Search for any remaining entry-points.console_scripts configurations
rg -l "entry-points\.console_scripts" 

Length of output: 39


Script:

#!/bin/bash
# Search for any setup.py files that might contain entry points
fd "setup.py$"

# Search for any pyproject.toml files
fd "pyproject.toml$"

# If we find any pyproject.toml files, let's check their content
fd "pyproject.toml$" -x cat {}

Length of output: 4484

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codecov bot commented Oct 22, 2024

Codecov Report

All modified and coverable lines are covered by tests ✅

Project coverage is 84.80%. Comparing base (d1f1b98) to head (4d960b1).
Report is 1 commits behind head on devel.

Additional details and impacted files
@@           Coverage Diff           @@
##            devel     #743   +/-   ##
=======================================
  Coverage   84.80%   84.80%           
=======================================
  Files          81       81           
  Lines        7336     7336           
=======================================
  Hits         6221     6221           
  Misses       1115     1115           

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

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codspeed-hq bot commented Oct 22, 2024

CodSpeed Performance Report

Merging #743 will not alter performance

Comparing njzjz:fix-scripts (4d960b1) with devel (d1f1b98)

Summary

✅ 2 untouched benchmarks

@njzjz njzjz marked this pull request as ready for review October 22, 2024 20:43
@wanghan-iapcm wanghan-iapcm merged commit cdbbe1b into deepmodeling:devel Oct 23, 2024
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2 participants