Drop setup.py #363
Drop setup.py #363
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WalkthroughThe pull request introduces significant changes to the project's packaging and configuration. The Changes
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Actionable comments posted: 1
🧹 Nitpick comments (1)
pyproject.toml (1)
134-136: Consider updating the pytest minimum version requirement.The current minimum version (6.0) is quite old. Pytest 7.x offers improved features and bug fixes. Consider updating to a more recent minimum version.
-minversion = 6.0 +minversion = 7.0
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Plan: Pro
📒 Files selected for processing (2)
pyproject.toml(1 hunks)setup.py(0 hunks)
💤 Files with no reviewable changes (1)
- setup.py
⏰ Context from checks skipped due to timeout of 90000ms (9)
- GitHub Check: test (3.12, windows-latest)
- GitHub Check: test (3.12, macos-latest)
- GitHub Check: test (3.12, ubuntu-latest)
- GitHub Check: test (3.11, windows-latest)
- GitHub Check: test (3.11, macos-latest)
- GitHub Check: test (3.11, ubuntu-latest)
- GitHub Check: test (3.10, windows-latest)
- GitHub Check: test (3.10, macos-latest)
- GitHub Check: test (3.10, ubuntu-latest)
🔇 Additional comments (1)
pyproject.toml (1)
124-132: Setuptools configuration looks good, but let's verify data files inclusion.The configuration correctly sets up package discovery and data files inclusion. The patterns for package data look comprehensive for a scientific package.
Let's verify that all necessary data files are included in the patterns:
✅ Verification successful
All data files are properly covered by the package data patterns
The current configuration in pyproject.toml correctly includes all existing data files in the smact/data directory, including those in the species_rep subdirectory. No files are being missed by the specified patterns.
🏁 Scripts executed
The following scripts were executed for the analysis:
Script:
#!/bin/bash # Description: Check for any data files that might be missed by the current patterns # Find all files in the smact/data directory echo "Files in smact/data directory:" fd . "smact/data" -t f # Check if there are any files that don't match the configured patterns echo -e "\nFiles that might be missed by current patterns:" fd . "smact/data" -t f -E "*.txt" -E "*.csv" -E "*.data" -E "*.xlsx" -E "*.json"Length of output: 1363
| [tool.setuptools] | ||
| include-package-data = true | ||
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| [tool.setuptools.packages.find] | ||
| where = ["."] | ||
| include = ["smact","smact.*"] | ||
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| [tool.setuptools.package-data] | ||
| "smact" = ["data/*.txt", "data/*.csv", "data/*.data", "data/*.xlsx", "data/*.json", "data/species_rep/*.json"] | ||
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| [tool.pytest.ini_options] | ||
| minversion = 6.0 | ||
| testpaths = ["smact/tests"] |
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💡 Codebase verification
Migration from setup.py is incomplete
Essential configurations are missing in pyproject.toml:
- Package metadata (name, version, description, author details, etc.)
- Dependencies list (scipy, numpy, spglib, etc.)
- Python version requirements (>=3.10)
- Project classifiers
Add these under the [project] table in pyproject.toml. Example:
[project]
name = "SMACT"
version = "3.0.2"
description = "Semiconducting Materials by Analogy and Chemical Theory"
requires-python = ">=3.10"
dependencies = [
"scipy",
"numpy<3",
# ... other dependencies
]🔗 Analysis chain
Verify completeness of setup.py migration.
The migration to pyproject.toml appears complete, but let's verify that no configurations were missed from the old setup.py.
🏁 Scripts executed
The following scripts were executed for the analysis:
Script:
#!/bin/bash
# Description: Check for any setup.py configurations that might need migration
# Look for the old setup.py in git history
echo "Checking setup.py configurations in last commit:"
git show HEAD^:setup.py 2>/dev/null || echo "setup.py not found in previous commit"
# Check for any remaining setup.py files
echo -e "\nChecking for any remaining setup.py files:"
fd "setup.py"
Length of output: 2733
Codecov ReportAll modified and coverable lines are covered by tests ✅
Additional details and impacted files@@ Coverage Diff @@
## develop #363 +/- ##
========================================
Coverage 75.47% 75.47%
========================================
Files 31 31
Lines 2642 2642
========================================
Hits 1994 1994
Misses 648 648 ☔ View full report in Codecov by Sentry. |
Drop setup.py
Description
This PR completes the migration from setup.py to pyproject.toml
Type of change
Please delete options that are not relevant.
How Has This Been Tested?
Test Configuration:
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N/A
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Summary by CodeRabbit
Build Configuration
pyproject.tomlProject Structure
setup.pyfilepyproject.tomlTesting