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switch ci matrix to test against gufe main again (#1050)
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atravitz authored Dec 13, 2024
1 parent 401ae3d commit 7eb6025
Showing 1 changed file with 1 addition and 17 deletions.
18 changes: 1 addition & 17 deletions .github/workflows/ci.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -30,7 +30,7 @@ defaults:
jobs:
tests:
runs-on: ${{ matrix.os }}
name: "πŸ’»-${{matrix.os }} 🐍-${{ matrix.python-version }} πŸ—ƒοΈ${{ matrix.pydantic-version }} oechem-${{ matrix.openeye }} gufe-${{ matrix.gufe-version }}"
name: "πŸ’»-${{matrix.os }} 🐍-${{ matrix.python-version }} πŸ—ƒοΈ${{ matrix.pydantic-version }} oechem: ${{ matrix.openeye }}"
strategy:
fail-fast: false
matrix:
Expand All @@ -41,34 +41,22 @@ jobs:
- "3.11"
- "3.12"
openeye: ["no"]
gufe-version: ['a9b5982471eb3644ca8c4423c7001e6309a3f544']
include:
- os: "macos-latest"
python-version: "3.12"
pydantic-version: ">1"
gufe-version: 'a9b5982471eb3644ca8c4423c7001e6309a3f544'
- os: "ubuntu-latest"
python-version: "3.11"
pydantic-version: "<2"
gufe-version: 'a9b5982471eb3644ca8c4423c7001e6309a3f544'
- os: "ubuntu-latest"
python-version: "3.11"
pydantic-version: ">1"
openeye: "yes"
gufe-version: 'a9b5982471eb3644ca8c4423c7001e6309a3f544'
- os: "macos-latest"
python-version: "3.12"
pydantic-version: ">1"
omff-version: ">0.13"
openeye: ["no"]
gufe-version: 'a9b5982471eb3644ca8c4423c7001e6309a3f544'

# temporary test against gufe main while we're pinned to a9b5
- os: "ubuntu-latest"
python-version: "3.11"
pydantic-version: ">1"
openeye: "yes"
gufe-version: 'main'

env:
OE_LICENSE: ${{ github.workspace }}/oe_license.txt
Expand Down Expand Up @@ -108,10 +96,6 @@ jobs:
micromamba install -c openeye openeye-toolkits
python -c "import openeye; assert openeye.oechem.OEChemIsLicensed(), 'oechem license check failed!'"
- name: "Install GUFE at {{ matrix.gufe-version }}"
if: ${{ matrix.gufe-version != 'main' }}
run: python -m pip install --no-deps git+https://github.com/OpenFreeEnergy/gufe@${{ matrix.gufe-version }}

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

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