Merge branch 'main' of github.com:materialsproject/atomate2

materialsproject · Jul 18, 2024 · 58f8b9a · 58f8b9a
2 parents 8a9b2fc + 42cae12
commit 58f8b9a
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diff --git a/.github/workflows/testing.yml b/.github/workflows/testing.yml
@@ -71,6 +71,9 @@ jobs:
         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 Notebooks
+        run: pytest --nbmake ./tutorials
+
       - name: Test
         env:
           MP_API_KEY: ${{ secrets.MP_API_KEY }}

diff --git a/.gitignore b/.gitignore
@@ -66,3 +66,5 @@ docs/reference/atomate2.*
 
 # see https://github.com/materialsproject/atomate2/issues/345
 *.doctrees*
+
+.ipynb_checkpoints
diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml
@@ -44,3 +44,12 @@ repos:
     stages: [commit, commit-msg]
     args: [--ignore-words-list, 'titel,statics,ba,nd,te,atomate']
     types_or: [python, rst, markdown]
+- repo: https://github.com/kynan/nbstripout
+  rev: 0.7.1
+  hooks:
+    - id: nbstripout
+      args: [
+        --drop-empty-cells,
+        --strip-init-cells,
+        --extra-keys=metadata.kernelspec,
+        ]
diff --git a/docs/_static/docs_store_Si_relax.json b/docs/_static/docs_store_Si_relax.json
diff --git a/docs/_static/example_flow.png b/docs/_static/example_flow.png
diff --git a/docs/index.md b/docs/index.md
@@ -4,6 +4,7 @@
 user/index
 user/install
 user/running-workflows
+user/docs-schemas-emmet
 user/fireworks
 user/atomate-1-vs-2
 user/codes/index
Original file line number	Diff line number	Diff line change
Expand Up		@@ -66,3 +66,5 @@ docs/reference/atomate2.*

		# see https://github.com/materialsproject/atomate2/issues/345
		.doctrees

		.ipynb_checkpoints