Make Beautifulsoup optional

[ab5424]

Summary

Major changes:

• BeautifulSoup is listed in requirements.txt but not in setup.py, possibly leading to an ImportError when installing pymatgen from pypi. Since it is only used in two places anyway, I moved it to requirements-optional.txt and changed the imports.

Checklist

• Google format doc strings added. Check with ruff.
• Type annotations included. Check with mypy.
• Tests added for new features/fixes.
• If applicable, new classes/functions/modules have duecredit @due.dcite decorators to reference relevant papers by DOI (example)

[coderabbitai]

Walkthrough

The recent update streamlines dependency management for BeautifulSoup in the project. Key scripts and classes now conditionally import BeautifulSoup, making it an optional dependency for enhanced flexibility. This change optimizes the project's core dependencies by moving beautifulsoup4 from the main requirements to the optional requirements.

Changes

Files	Change Summary
dev_scripts/update_pt_data.py pymatgen/io/vasp/help.py	Conditionally import BeautifulSoup using monty.dev.requires. Decorators added for dependency checks.
requirements-optional.txt	Added beautifulsoup4==4.12.2 to optional requirements.
requirements.txt	Removed beautifulsoup4==4.12.2 from main requirements.

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Recent Review Details

Configuration used: .coderabbit.yaml
Review profile: CHILL

Commits

Files that changed from the base of the PR and between cd69def and a69a109.

Files selected for processing (2)

• dev_scripts/update_pt_data.py (2 hunks)
• pymatgen/io/vasp/help.py (1 hunks)

Additional comments not posted (4)

pymatgen/io/vasp/help.py (2)

8-13: Ensure conditional import of BeautifulSoup is handled correctly.

The use of a try-except block to conditionally import BeautifulSoup and set it to None if not found is a good practice for optional dependencies. This pattern works well with the requires decorator used later in the class.

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19-19: Validate the use of the requires decorator on the __init__ method.

The application of the @requires(BeautifulSoup, "BeautifulSoup must be installed to fetch from the VASP wiki.") decorator on the __init__ method is appropriate. It prevents the class from being used without the necessary BeautifulSoup dependency, aligning with the PR's goal to make this dependency optional.

dev_scripts/update_pt_data.py (2)

14-23: Ensure conditional import of BeautifulSoup is handled correctly.

The use of a try-except block to conditionally import BeautifulSoup and set it to None if not found is a good practice for optional dependencies. This pattern works well with the requires decorator used later in the function.

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239-239: Validate the use of the requires decorator on the add_electron_affinities function.

The application of the @requires(BeautifulSoup, "BeautifulSoup must be installed to use this method.") decorator on the add_electron_affinities function is appropriate. It ensures that the function cannot be executed without the necessary BeautifulSoup dependency, aligning with the PR's goal to make this dependency optional.

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[janosh]

thanks @ab5424, very sensible change! 👍