diff --git a/.github/workflows/examples-ci.yaml b/.github/workflows/examples-ci.yaml index bacb651..ddc1035 100644 --- a/.github/workflows/examples-ci.yaml +++ b/.github/workflows/examples-ci.yaml @@ -30,7 +30,7 @@ jobs: strategy: fail-fast: false matrix: - os: [macOS-12, ubuntu-latest] + os: [ubuntu-latest] python-version: ["3.11", "3.12"] pydantic-version: ["2"] include-rdkit: [true] @@ -89,4 +89,4 @@ jobs: - name: Run example notebooks run: | - python -m pytest -r fE -v -x --tb=short -nauto --nbval-lax --dist loadscope examples + python -m pytest -r fE -v -x --tb=short -nauto --nbval-lax --nbval-cell-timeout=50000 --dist loadscope examples diff --git a/examples/train-gnn-to-electric-field/train-gnn-to-electric-field.ipynb b/examples/train-gnn-to-electric-field/train-gnn-to-electric-field.ipynb index 0defa7f..2e918cd 100644 --- a/examples/train-gnn-to-electric-field/train-gnn-to-electric-field.ipynb +++ b/examples/train-gnn-to-electric-field/train-gnn-to-electric-field.ipynb @@ -569,6 +569,30 @@ "from pytorch_lightning.callbacks import TQDMProgressBar" ] }, + { + "cell_type": "code", + "execution_count": null, + "id": "c8cb0a08-eea6-41e4-9fd6-158204e26e79", + "metadata": {}, + "outputs": [], + "source": [ + "trainer = pl.Trainer(\n", + " max_epochs=100,\n", + " callbacks=[TQDMProgressBar()], # add progress bar\n", + " accelerator=\"cpu\"\n", + ")" + ] + }, + { + "cell_type": "code", + "execution_count": null, + "id": "f8846142-77f2-4d60-a74e-c3bc3c3ed3ee", + "metadata": {}, + "outputs": [], + "source": [ + "datamodule = training_model.create_data_module(verbose=False)" + ] + }, { "cell_type": "code", "execution_count": 14, @@ -2058,16 +2082,9 @@ } ], "source": [ - "trainer = pl.Trainer(\n", - " max_epochs=100,\n", - " callbacks=[TQDMProgressBar()], # add progress bar\n", - " accelerator=\"cpu\"\n", - ")\n", - "\n", - "\n", "trainer.fit(\n", " training_model,\n", - " datamodule=training_model.create_data_module(verbose=False),\n", + " datamodule=datamodule,\n", ")" ] }, @@ -2137,7 +2154,7 @@ "name": "python", "nbconvert_exporter": "python", "pygments_lexer": "ipython3", - "version": "3.12.5" + "version": "3.11.4" } }, "nbformat": 4,