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Bump Interchange to 0.5 in tests and examples #2163

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Merged
j-wags merged 9 commits into from
Mar 16, 2026
Merged

Bump Interchange to 0.5 in tests and examples #2163

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a47948b
Bump Interchange to 0.5 in tests and examples
mattwthompson Mar 11, 2026
6161899
GitHub no longer reports their outages
mattwthompson Mar 11, 2026
182747d
Update devtools/conda-envs/openeye-examples.yaml
mattwthompson Mar 12, 2026
418ca30
Revert "GitHub no longer reports their outages"
mattwthompson Mar 12, 2026
9eb5df2
Fix
mattwthompson Mar 12, 2026
cbfa8ba
Make environments more consistent
mattwthompson Mar 12, 2026
3199ea0
Loosen constrain in test environments
mattwthompson Mar 13, 2026
049acc4
Check links last
mattwthompson Mar 13, 2026
409f166
remove fail-fast
j-wags Mar 16, 2026
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8 changes: 4 additions & 4 deletions .github/workflows/CI.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -128,10 +128,6 @@ jobs:
micromamba list
pip list

- name: Check links
if: ${{ matrix.rdkit == true && matrix.openeye == true }}
run: pytest -r fE --tb=short openff/toolkit/_tests/test_links.py

- name: Run mypy
# 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
Expand Down Expand Up @@ -175,3 +171,7 @@ jobs:
files: ./coverage.xml
disable_search: true
fail_ci_if_error: true

- name: Check links
if: ${{ matrix.rdkit == true && matrix.openeye == true }}
run: pytest -r fE --tb=short openff/toolkit/_tests/test_links.py
2 changes: 1 addition & 1 deletion devtools/conda-envs/openeye-examples.yaml
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Expand Up @@ -18,7 +18,7 @@ dependencies:
- openff-amber-ff-ports >=0.0.3
- openff-units
- openff-utilities >=0.1.5
- openff-interchange-base =0.4
- openff-interchange-base >=0.5
# No idea why this is necessary, see https://github.com/openforcefield/openff-toolkit/pull/1821
- nomkl
- openff-nagl-base >=0.4.0
Expand Down
2 changes: 1 addition & 1 deletion devtools/conda-envs/openeye.yaml
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Expand Up @@ -18,7 +18,7 @@ dependencies:
- openff-units
- openff-amber-ff-ports
- openff-utilities >=0.1.5
- openff-interchange-base =0.4
- openff-interchange-base >=0.5
- openff-nagl-base =0.4.0
- openff-nagl-models >=0.3.0
- typing_extensions
Expand Down
2 changes: 1 addition & 1 deletion devtools/conda-envs/rdkit-examples.yaml
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Expand Up @@ -17,7 +17,7 @@ dependencies:
- openff-amber-ff-ports >=0.0.3
- openff-units
- openff-utilities >=0.1.5
- openff-interchange-base =0.4
- openff-interchange-base >=0.5
# No idea why this is necessary, see https://github.com/openforcefield/openff-toolkit/pull/1821
- nomkl
- openff-nagl-base >=0.4.0
Expand Down
2 changes: 1 addition & 1 deletion devtools/conda-envs/rdkit.yaml
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Expand Up @@ -17,7 +17,7 @@ dependencies:
- openff-units
- openff-amber-ff-ports
- openff-utilities >=0.1.5
- openff-interchange-base =0.4
- openff-interchange-base >=0.5
- openff-nagl-base >=0.4.0
- openff-nagl-models >=0.3.0
- typing_extensions
Expand Down
2 changes: 1 addition & 1 deletion devtools/conda-envs/test_env.yaml
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Expand Up @@ -18,7 +18,7 @@ dependencies:
- openff-units
- openff-amber-ff-ports
- openff-utilities >=0.1.5
- openff-interchange-base =0.4
- openff-interchange-base >=0.5
- openff-nagl-base >=0.4.0
- openff-nagl-models >=0.3.0
- typing_extensions
Expand Down
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