Enable slow tests in nightly ADO pipeline and add on-demand workflow_dispatch trigger

.github/workflows/build-and-test.yaml

@@ -9,6 +9,12 @@ on:
     - '**'
   merge_group:
   workflow_dispatch:
+    inputs:
+      run_slow_tests:
+        description: Run slow tests
+        required: false
+        default: false
+        type: boolean
 
 concurrency:
   group: ${{ github.workflow }}-${{ github.ref }}
@@ -344,7 +350,7 @@ jobs:
     - name: Run Python tests
       env:
         OMP_NUM_THREADS: ${{ matrix.python-test-threads }}
-        QDK_CHEMISTRY_RUN_SLOW_TESTS: 0
+        QDK_CHEMISTRY_RUN_SLOW_TESTS: ${{ inputs.run_slow_tests && '1' || '0' }}
       working-directory: python
       run: |
         set -e

.pipelines/templates/test-pip-wheels.yml

@@ -17,6 +17,9 @@ parameters:
 - name: pyenvVersion
   type: string
   default: 2.6.31
+- name: runSlowTests
+  type: boolean
+  default: true
 
 steps:
 - ${{ if eq(parameters.macBuild, 'OFF') }}:
@@ -26,6 +29,7 @@ steps:
         --platform ${{ parameters.imageTag }} \
         -e PIP_INDEX_URL \
         -e QSHARP_PYTHON_TELEMETRY=false \
+        -e QDK_CHEMISTRY_RUN_SLOW_TESTS=${{ parameters.runSlowTests }} \
         -v ${{ parameters.agentBuildDirectory }}:/workspace \
         -w /workspace/qdk-chemistry/python \
         ${{ parameters.dockerImage }} \
@@ -38,6 +42,7 @@ steps:
   - script: |
       echo "Running wheel tests (native)..."
       cd ${{ parameters.agentBuildDirectory }}/qdk-chemistry/python
+      export QDK_CHEMISTRY_RUN_SLOW_TESTS=${{ parameters.runSlowTests }}
       bash ../.pipelines/pip-scripts/test-pip-wheels.sh ${{ parameters.pythonVersion }} \
                                                         ${{ parameters.macBuild }} \
                                                         ${{ parameters.pyenvVersion }}

examples/qpe_stretched_n2.ipynb

@@ -9,13 +9,13 @@
     "\n",
     "This notebook provides an example of `qdk-chemistry` functionality through an end-to-end workflow estimating the ground state energy of a multi-configurational quantum chemistry system.  This is one example of a wide range of functionality in `qdk-chemistry`. Please see <https://github.com/microsoft/qdk-chemistry> for the full documentation.\n",
     "\n",
-    "In addition to [installing `qdk-chemistry`](https://github.com/microsoft/qdk-chemistry/blob/main/INSTALL.md), you will need to install the `jupyter` extra to run this notebook:\n",
+    "In addition to [installing `qdk-chemistry`](https://github.com/microsoft/qdk-chemistry/blob/main/INSTALL.md), you will need to install the `jupyter` and `qiskit-extras` extras to run this notebook:\n",
     "\n",
     "```bash\n",
-    "pip install 'qdk-chemistry[jupyter]'\n",
+    "pip install 'qdk-chemistry[jupyter,qiskit-extras]'\n",
     "```\n",
     "\n",
-    "This installs the additional dependencies required by this notebook (ipykernel, pandas, and pyscf)."
+    "This installs the additional dependencies required by this notebook (ipykernel, pandas, pyscf, qiskit)."
    ]
   },
   {

examples/state_prep_energy.ipynb

@@ -10,13 +10,13 @@
     "This notebook demonstrates an end-to-end multi-configurational quantum chemistry workflow using `qdk-chemistry`.\n",
     "It covers molecule loading and visualization, self-consistent-field (SCF) calculation, active-space selection, multi-configurational wavefunction generation, quantum state-preparation circuit construction, and measurement circuits for energy estimation.\n",
     "\n",
-    "**Prerequisites:** In addition to [installing `qdk-chemistry`](https://github.com/microsoft/qdk-chemistry/blob/main/INSTALL.md), you will need to install the `jupyter` extra to run this notebook:\n",
+    "**Prerequisites:** In addition to [installing `qdk-chemistry`](https://github.com/microsoft/qdk-chemistry/blob/main/INSTALL.md), you will need to install the `jupyter` and `qiskit-extras` extras to run this notebook:\n",
     "\n",
     "```bash\n",
-    "pip install 'qdk-chemistry[jupyter]'\n",
+    "pip install 'qdk-chemistry[jupyter,qiskit-extras]'\n",
     "```\n",
     "\n",
-    "This installs the additional dependencies required by this notebook (ipykernel, pandas, and pyscf).\n",
+    "This installs the additional dependencies required by this notebook (ipykernel, pandas, pyscf, and qiskit).\n",
     "\n",
     "---\n",
     "\n",

python/tests/test_sample_workflow.py

@@ -23,6 +23,8 @@
 
 import pytest
 
+from qdk_chemistry.plugins.qiskit import QDK_CHEMISTRY_HAS_QISKIT
+
 # Optional dependencies for notebook execution
 try:
     import nbformat
@@ -245,6 +247,10 @@ def test_factory_list():
     not _HAS_JUPYTER_KERNEL,
     reason="Jupyter kernel 'python3' not available. Install ipykernel and register the kernel.",
 )
+@pytest.mark.skipif(
+    not QDK_CHEMISTRY_HAS_QISKIT,
+    reason="Qiskit dependencies not available",
+)
 def test_state_prep_energy():
     """Test the examples/state_prep_energy.ipynb notebook executes without errors."""
     notebook_path = EXAMPLES_DIR / "state_prep_energy.ipynb"
@@ -269,6 +275,10 @@ def test_state_prep_energy():
     not _HAS_JUPYTER_KERNEL,
     reason="Jupyter kernel 'python3' not available. Install ipykernel and register the kernel.",
 )
+@pytest.mark.skipif(
+    not QDK_CHEMISTRY_HAS_QISKIT,
+    reason="Qiskit dependencies not available",
+)
 def test_qpe_stretched_n2():
     """Test the examples/qpe_stretched_n2.ipynb notebook executes without errors."""
     notebook_path = EXAMPLES_DIR / "qpe_stretched_n2.ipynb"