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build: replace openbabel-wheel with openbabel#1882

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njzjz-bot wants to merge 1 commit into
deepmodeling:masterfrom
njzjz-bot:openbabel-3.2
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build: replace openbabel-wheel with openbabel#1882
njzjz-bot wants to merge 1 commit into
deepmodeling:masterfrom
njzjz-bot:openbabel-3.2

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@njzjz-bot njzjz-bot commented May 27, 2026

Problem

  • openbabel-wheel has been superseded by the official openbabel package.
  • Starting with Open Babel 3.2.0, users can install the Python wheels directly from openbabel on PyPI.

Change

  • Replace openbabel-wheel usage with openbabel>=3.2.0.

Notes

  • This keeps the same Python import path (openbabel) while depending on the upstream package name.

Authored by OpenClaw (model: custom-chat-jinzhezeng-group/gpt-5.5)

Summary by CodeRabbit

  • Chores
    • Updated project dependencies to require OpenBabel version 3.2.0 or higher.

Review Change Stack

openbabel-wheel has been superseded by the official openbabel package starting with version 3.2.0.

Authored by OpenClaw (model: custom-chat-jinzhezeng-group/gpt-5.5)
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coderabbitai Bot commented May 27, 2026

No actionable comments were generated in the recent review. 🎉

ℹ️ Recent review info
⚙️ Run configuration

Configuration used: Organization UI

Review profile: CHILL

Plan: Pro

Run ID: 6550bc31-b8a5-4091-bb06-e707a4ceff49

📥 Commits

Reviewing files that changed from the base of the PR and between 66232e5 and 889e4ef.

📒 Files selected for processing (1)
  • pyproject.toml

📝 Walkthrough

Walkthrough

The PR updates the project dependency specification in pyproject.toml, replacing the openbabel-wheel package with openbabel>=3.2.0 to use the main openbabel package with a minimum version constraint.

Changes

Dependency Management

Layer / File(s) Summary
OpenBabel Dependency Constraint
pyproject.toml
The [project].dependencies list is updated to replace openbabel-wheel with openbabel>=3.2.0, establishing a minimum version requirement for the openbabel package.

Estimated code review effort

🎯 1 (Trivial) | ⏱️ ~2 minutes

Suggested reviewers

  • wanghan-iapcm
🚥 Pre-merge checks | ✅ 5
✅ Passed checks (5 passed)
Check name Status Explanation
Description Check ✅ Passed Check skipped - CodeRabbit’s high-level summary is enabled.
Title check ✅ Passed The title clearly and concisely summarizes the main change: replacing the openbabel-wheel dependency with the official openbabel package.
Docstring Coverage ✅ Passed No functions found in the changed files to evaluate docstring coverage. Skipping docstring coverage check.
Linked Issues check ✅ Passed Check skipped because no linked issues were found for this pull request.
Out of Scope Changes check ✅ Passed Check skipped because no linked issues were found for this pull request.

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✨ Finishing Touches
🧪 Generate unit tests (beta)
  • Create PR with unit tests

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