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CI: pin numpy to <2.3 & rdkit to <2025.3.3 (#837)
See: - ParmEd/ParmEd#1406 - kuelumbus/rdkit-pypi#132 <!-- This is an auto-generated comment: release notes by coderabbit.ai --> ## Summary by CodeRabbit - **Chores** - Updated dependency versions in the automated test workflow to improve compatibility and stability. <!-- end of auto-generated comment: release notes by coderabbit.ai -->
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.github/workflows/pyright.yml

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with:
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python-version: '3.12'
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- run: pip install uv
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- run: uv pip install --system -e .[amber,ase,pymatgen] rdkit openbabel-wheel
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- run: uv pip install --system -e .[amber,ase,pymatgen] 'rdkit<2025.3.3' openbabel-wheel
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- uses: jakebailey/pyright-action@v2
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with:
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version: 1.1.363

.github/workflows/test.yml

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**/pyproject.toml
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cache-suffix: "py${{ matrix.python-version }}"
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- name: Install dependencies
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run: uv pip install --system .[test,amber,ase,pymatgen] coverage ./tests/plugin rdkit openbabel-wheel
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run: uv pip install --system .[test,amber,ase,pymatgen] coverage ./tests/plugin 'rdkit<2025.3.3' openbabel-wheel 'numpy<2.3'
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- name: Test
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run: cd tests && coverage run --source=../dpdata -m unittest && cd .. && coverage combine tests/.coverage && coverage report
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- name: Run codecov

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