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only run dev with newest python version #1165

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Mar 1, 2023
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36 changes: 20 additions & 16 deletions .github/workflows/CI.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -23,8 +23,11 @@ jobs:
strategy:
fail-fast: false
matrix:
python-version: [3.8, 3.9, "3.10",]
openmm: ["dev", "8.0", "7.7"]
python-version: [3.8, 3.9, "3.10"]
openmm: ["8.0", "7.7"]
include:
- openmm: "dev"
python-version: "3.10"

env:
OPENMM: ${{ matrix.openmm }}
Expand All @@ -40,26 +43,27 @@ jobs:
df -h
ulimit -a

- name: Setup micromamba
- name: Setup micromamba dev
if: ${{ matrix.openmm == 'dev' }}
uses: mamba-org/provision-with-micromamba@main
with:
environment-file: devtools/conda-envs/test_env.yaml
environment-name: test
channels: jaimergp/label/unsupported-cudatoolkit-shim,conda-forge/label/openmm_dev/linux-64,conda-forge,openeye
channel-priority: flexible
extra-specs: |
python=${{ matrix.python-version }}

python==${{ matrix.python-version }}
openmm==8.0.0dev3

- name: Refine test environment
shell: bash -l {0}
run: |
case ${{ matrix.openmm }} in
dev)
echo "Using dev build of OpenMM"
micromamba install -c conda-forge/label/openmm_dev -c conda-forge openmm;;
*)
echo "installing OpenMM version ${{ matrix.openmm }}"
micromamba install -y -c conda-forge openmm=${{ matrix.openmm }};;
esac
- name: Setup micromamba
if: ${{ matrix.openmm != 'dev' }}
uses: mamba-org/provision-with-micromamba@main
with:
environment-file: devtools/conda-envs/test_env.yaml
environment-name: test
extra-specs: |
python==${{ matrix.python-version }}
openmm==${{ matrix.openmm }}

- name: Install package
shell: bash -l {0}
Expand Down