Treat ParmEd as optional dependency in tests#2145
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mattwthompson
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The OpenEye-only tests are bringing in NumPy 2.4, which is a key goal of this change |
| - name: Check links | ||
| if: ${{ matrix.rdkit == true && matrix.openeye == true }} | ||
| run: pytest -r fE --tb=short openff/toolkit/_tests/test_links.py | ||
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These are stochastically failing, intend to revert before merge
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(blocking) This appears to not be stochastic, fixing in #2147. Please do revert this change and the one in beta_rc.yaml before merging (that is, go ahead and merge even with this test failing).
| # See https://github.com/openforcefield/openff-units/issues/111 | ||
| # for more or better solution - possibly not needed when links are checked | ||
| # before a parallel pytest run | ||
| - name: Shim for `pytest-xdist` + Pint cross-interaction | ||
| run: python -c "from openff.toolkit import *" | ||
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This is outdated but can be split out into a separate PR
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Leaving this change in but above stands
| - name: Check links | ||
| if: ${{ matrix.rdkit == true && matrix.openeye == true }} | ||
| run: pytest -r fE --tb=short openff/toolkit/_tests/test_links.py | ||
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There was a problem hiding this comment.
(blocking) This appears to not be stochastic, fixing in #2147. Please do revert this change and the one in beta_rc.yaml before merging (that is, go ahead and merge even with this test failing).
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This is in the state I wanted it to be pre-merging; I'll leave next steps up to you |
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Thanks Matt! |
2 participants
Closes #2031
Closes #2144