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Pull request overview
This PR attempts to refine the crates.io package categories from generic classifications to more specific computational chemistry taxonomy. However, the implementation uses an invalid category format that is not supported by crates.io.
Changes:
- Updated
categoriesfield in Cargo.toml to use nested path notation for computational chemistry subcategories
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Summary:
Updates package metadata to use more precise crates.io category taxonomy for computational chemistry. This improves discoverability and classification while keeping functionality unchanged.
Changes:
categorieswith domain-specific computational chemistry categories.name,version, dependencies, features, and build profiles unchanged.