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test configuration housekeeping
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j-wags committed Oct 4, 2024
1 parent 79775f2 commit 6159b62
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9 changes: 5 additions & 4 deletions .github/workflows/CI.yml
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Expand Up @@ -139,10 +139,11 @@ jobs:
run: pytest -r fE --tb=short openff/toolkit/_tests/test_links.py

- name: Run mypy
# subtle differences in Python/mypy versions, just keep it passing on one
# prefer having htis back to rdkit == true, but builds often have bugs in stubs and
# there are other bugs/subtleties (in the source code and builds) that reduce the number
# of available builds
# Subtle differences in Python/mypy versions, just keep it passing on one.
# When possible re-enable this with OE+RDK=True, but for now rdkit builds often have bugs
# in stubs and there are other subtleties (in the source code and builds) that reduce the number
# of available builds.
# See ex https://github.com/rdkit/rdkit/issues/7221
if: ${{ matrix.rdkit == false && matrix.openeye && matrix.python-version == 3.10 }}
run: mypy -p "openff.toolkit"

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5 changes: 3 additions & 2 deletions devtools/conda-envs/test_env.yaml
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Expand Up @@ -24,10 +24,11 @@ dependencies:
- openff-nagl-models ==0.3.0
# Toolkit-specific
- ambertools >=22
# https://github.com/rdkit/rdkit/issues/7221
# rdkit 2024.03.6 and 2024.09.1 packages fail when run natively on osx-arm64 macs
# https://github.com/rdkit/rdkit/issues/7583
# and a bad stub (causing mypy failure only)
- rdkit !=2024.03.6,!=2024.03.5,!=2024.03.4
# https://github.com/rdkit/rdkit/issues/7221
- rdkit !=2024.03.6,!=2024.09.1

- openeye-toolkits
# Test-only/optional/dev/typing
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