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.github/workflows/test.yml
@@ -22,7 +22,7 @@ jobs:
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- name: Install rdkit
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run: python -m pip install rdkit openbabel-wheel
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- name: Install dependencies
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- run: python -m pip install .[amber,ase,pymatgen] coverage "pymatgen==2023.7.11;python_version>='3.8'"
+ run: python -m pip install .[amber,ase,pymatgen] coverage
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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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