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install latest openfe and gufe as a canary to catch upstream changes #204

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install latest openfe and gufe as a canary to catch upstream changes #204

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95415ea
install latest openfe and gufe as a canary to catch upstream changes
mikemhenry Nov 20, 2023
b0ccaf6
Merge branch 'main' into feat/install_from_latest_source
dotsdl Dec 4, 2023
8117a4e
Fix to integration CI for openfe/gufe canary
dotsdl Dec 4, 2023
6d10f1f
Made values easier to read for openfe-latest
dotsdl Dec 4, 2023
02840f0
One more adjustment
dotsdl Dec 4, 2023
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8 changes: 8 additions & 0 deletions .github/workflows/ci-integration.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -29,6 +29,11 @@ jobs:
python-version:
- "3.9"
- "3.10"
deps-versions: ['openfe-release']
include:
- os: 'ubuntu'
python-version: "3.10"
deps-versions: 'openfe-latest'

steps:
- uses: actions/checkout@v2
Expand All @@ -42,6 +47,9 @@ jobs:
environment-file: devtools/conda-envs/test.yml
activate-environment: alchemiscale-test

- name: "Install openfe & gufe from latest source"
if: ${{ matrix.deps-versions == 'openfe-latest' }}
run: pip install --no-deps git+https://github.com/OpenFreeEnergy/gufe git+https://github.com/OpenFreeEnergy/openfe
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Suggested change
run: pip install --no-deps git+https://github.com/OpenFreeEnergy/gufe git+https://github.com/OpenFreeEnergy/openfe
run: |
pip install --no-deps git+https://github.com/OpenFreeEnergy/gufe git+https://github.com/OpenFreeEnergy/openfe
mamba install kartograff

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This should fix the issue highlighted here #204 (comment)
We have to manually install packages to make the canary pass, that way we can "catch" the upstream change. We can also not do that and just have the CI fail until a new openfe releases comes out and fixes the dependency issue


- name: "Install"
run: python -m pip install --no-deps -e .
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