CI add repository_dispatch event for pymatgen_ci_trigger (materialsproject#835)

* CI add repository_dispatch event for pymatgen_ci_trigger

in which case pmg is installed from the POSTed commit SHA (usually master)

* param-case event type

to pymatgen-ci-trigger

Author: janosh

.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 }}

tests/forcefields/test_md.py

@@ -31,7 +31,10 @@
 }
 
 
-@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