diff --git a/.github/workflows/testing.yml b/.github/workflows/testing.yml index 529826294e..2f1e31a4f6 100644 --- a/.github/workflows/testing.yml +++ b/.github/workflows/testing.yml @@ -6,6 +6,8 @@ on: tags: ["v*"] pull_request: workflow_dispatch: + repository_dispatch: + types: [pymatgen-ci-trigger] jobs: lint: @@ -65,6 +67,10 @@ jobs: pip install torch-runstats pip install --no-deps nequip==0.5.6 + - name: Install pymatgen from master if triggered by pymatgen repo dispatch + if: github.event_name == 'repository_dispatch' && github.event.action == 'pymatgen-ci-trigger' + run: pip install --upgrade 'git+https://github.com/materialsproject/pymatgen@${{ github.event.client_payload.pymatgen_ref }}' + - name: Test env: MP_API_KEY: ${{ secrets.MP_API_KEY }} diff --git a/tests/forcefields/test_md.py b/tests/forcefields/test_md.py index f55bef49a2..321593d804 100644 --- a/tests/forcefields/test_md.py +++ b/tests/forcefields/test_md.py @@ -29,7 +29,10 @@ } -@pytest.mark.parametrize("ff_name", ["CHGNet", "M3GNet", "MACE", "GAP", "Nequip"]) +@pytest.mark.parametrize( + "ff_name", + ["CHGNet", "M3GNet", "MACE", "GAP", "Nequip"], +) def test_ml_ff_md_maker(ff_name, si_structure, sr_ti_o3_structure, test_dir, clean_dir): n_steps = 5