Add python layer for LGPU_MPI

.github/CHANGELOG.md

@@ -2,6 +2,18 @@
 
 ### New features since last release
 
+* Add `SparseHamiltonian` support for Lightning-GPU.
+  [(#526)] (https://github.com/PennyLaneAI/pennylane-lightning/pull/526)
+
+* Add `SparseHamiltonian` support for Lightning-Kokkos.
+  [(#527)] (https://github.com/PennyLaneAI/pennylane-lightning/pull/527)
+
+* Integrate python/pybind layer of distributed Lightning-GPU into the Lightning monorepo with python unit tests.
+  [(#518)] (https://github.com/PennyLaneAI/pennylane-lightning/pull/518)
+
+* Integrate the distributed C++ backend of Lightning-GPU into the Lightning monorepo.
+  [(#514)] (https://github.com/PennyLaneAI/pennylane-lightning/pull/514)
+
 * Integrate Lightning-GPU into the Lightning monorepo. The new backend is named `lightning_gpu` and includes all single-GPU features.
   [(#499)] (https://github.com/PennyLaneAI/pennylane-lightning/pull/499)
 
@@ -43,6 +55,9 @@
 
 ### Improvements
 
+* Improve Python testing for Lightning-GPU (+MPI) by adding jobs in Actions files and adding Python tests to increase code coverage.   
+  [(#522)](https://github.com/PennyLaneAI/pennylane-lightning/pull/522)
+
 * Add support for `pip install pennylane-lightning[kokkos]` for the OpenMP backend.
   [(#515)](https://github.com/PennyLaneAI/pennylane-lightning/pull/515)
 

.github/workflows/format.yml

@@ -84,7 +84,7 @@ jobs:
           cp -rf ${{ github.workspace}}/Kokkos_install/${{ matrix.exec_model }}/* Kokkos/
 
       - name: Install dependencies
-        run: sudo apt update && sudo apt -y install clang-tidy-14 cmake g++-10 ninja-build libomp-14-dev
+        run: sudo apt update && sudo apt -y install clang-tidy-14 cmake gcc-11 g++-11 ninja-build libomp-14-dev
         env:
           DEBIAN_FRONTEND: noninteractive
 
@@ -96,5 +96,6 @@ jobs:
             -DBUILD_TESTS=ON \
             -DENABLE_WARNINGS=ON \
             -DPL_BACKEND=${{ matrix.pl_backend }} \
-            -DCMAKE_CXX_COMPILER="$(which g++-10)"
+            -DCMAKE_CXX_COMPILER="$(which g++-11)" \
+            -DCMAKE_C_COMPILER="$(which gcc-11)"
           cmake --build ./Build

.github/workflows/tests_gpu_cu11.yml

@@ -1,4 +1,4 @@
-name: Testing::Linux::x86_64 (Lightning-GPU)
+name: Testing::Linux::x86_64::LGPU
 on:
   pull_request:
   push:
@@ -143,7 +143,7 @@ jobs:
           if-no-files-found: error
 
   pythontestswithLGPU:
-    needs: [builddeps]
+    needs: [builddeps, cpptestswithLGPU_cu11]
     strategy:
       matrix:
         os: [ubuntu-22.04]

.github/workflows/tests_gpu.yml → .github/workflows/tests_gpu_kokkos.yml

@@ -1,4 +1,4 @@
-name: Testing (GPU)
+name: Testing::LKokkos::GPU
 on:
   pull_request:
   push:

.github/workflows/tests_linux_x86_mpi_gpu.yml

@@ -0,0 +1,320 @@
+name: Tests::Linux::x86_64::LGPU::MPI
+on:
+  workflow_call:
+    inputs:
+      lightning-version:
+        type: string
+        required: true
+        description: The version of lightning to use. Valid values are either 'stable' (most recent git-tag) or 'latest' (most recent commit from master)
+      pennylane-version:
+        type: string
+        required: true
+        description: The version of PennyLane to use. Valid values are either 'stable' (most recent git-tag) or 'latest' (most recent commit from master)
+  release:
+  push:
+    branches:
+      - main
+  pull_request:
+
+env:
+  COVERAGE_FLAGS: "--cov=pennylane_lightning --cov-report=term-missing --cov-report=xml:./coverage.xml --no-flaky-report -p no:warnings --tb=native"
+  GCC_VERSION: 11
+  OMP_NUM_THREADS: "2"
+  CI_CUDA_ARCH: 86
+
+concurrency:
+  group: gpu-test-mpi-${{ github.ref }}-${{ inputs.lightning-version }}-${{ inputs.pennylane-version }}
+  cancel-in-progress: true
+
+jobs:
+  cpp_tests:
+    if: contains(github.event.pull_request.labels.*.name, 'ci:use-multi-gpu-runner') || (inputs.lightning-version != '' && inputs.pennylane-version != '')
+    runs-on:
+      - self-hosted
+      - linux
+      - x64
+      - ubuntu-22.04
+      - multi-gpu
+    strategy:
+      max-parallel: 1
+      matrix:
+        mpilib: ["mpich", "openmpi"]
+    timeout-minutes: 30
+
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v3
+        with:
+          fetch-tags: true
+
+      - name: Switch to stable build of Lightning-GPU
+        if: inputs.lightning-version == 'stable'
+        run: |
+          git fetch tags --force
+          git checkout $(git tag | sort -V | tail -1)
+      - uses: actions/setup-python@v4
+        id: setup_python
+        name: Install Python
+        with:
+          python-version: '3.9'
+
+      # Since the self-hosted runner can be re-used. It is best to set up all package
+      # installations in a virtual environment that gets cleaned at the end of each workflow run
+      - name: Setup Python virtual environment
+        id: setup_venv
+        env:
+          VENV_NAME: ${{ github.workspace }}/venv_${{ steps.setup_python.outputs.python-version }}_${{ github.sha }}
+        run: |
+          # Clear any pre-existing venvs
+          rm -rf venv_*
+
+          # Create new venv for this workflow_run
+          python --version
+          python -m venv ${{ env.VENV_NAME }}
+
+          # Add the venv to PATH for subsequent steps
+          echo ${{ env.VENV_NAME }}/bin >> $GITHUB_PATH
+
+          # Adding venv name as an output for subsequent steps to reference if needed
+          echo "venv_name=${{ env.VENV_NAME }}" >> $GITHUB_OUTPUT
+
+      - name: Display Python-Path
+        id: python_path
+        run: |
+          py_path=$(which python)
+          echo "Python Interpreter Path => $py_path"
+          echo "python=$py_path" >> $GITHUB_OUTPUT
+
+          pip_path=$(which python)
+          echo "PIP Path => $pip_path"
+          echo "pip=$pip_path" >> $GITHUB_OUTPUT
+
+      - name: Install required packages
+        run: |
+          python -m pip install ninja cmake custatevec-cu11
+
+      - name: Validate GPU version and installed compiler
+        run: |
+          source /etc/profile.d/modules.sh && module use /opt/modules && module load cuda/11.8
+          which -a nvcc
+          nvcc --version
+      - name: Validate Multi-GPU packages
+        run: |
+          source /etc/profile.d/modules.sh && module use /opt/modules/ && module load ${{ matrix.mpilib }}
+          echo 'Checking for ${{ matrix.mpilib }}'
+          which -a mpirun
+          mpirun --version
+          which -a mpicxx
+          mpicxx --version
+          module unload ${{ matrix.mpilib }}
+      - name: Install Latest PennyLane
+        if: inputs.pennylane-version == 'latest'
+        run: python -m pip install git+https://github.com/PennyLaneAI/pennylane.git@master
+
+      - name: Build and run unit tests
+        run: |
+          source /etc/profile.d/modules.sh && module use /opt/modules/ && module load ${{ matrix.mpilib }}
+          export CUQUANTUM_SDK=$(python -c "import site; print( f'{site.getsitepackages()[0]}/cuquantum/lib')")
+          cmake . -BBuild \
+            -DPL_BACKEND=lightning_gpu \
+            -DENABLE_MPI=ON \
+            -DCMAKE_BUILD_TYPE=Debug \
+            -DENABLE_COVERAGE=ON \
+            -DBUILD_TESTS=ON \
+            -DCMAKE_CXX_COMPILER=mpicxx \
+            -DCMAKE_CUDA_COMPILER="/usr/local/cuda/bin/nvcc" \
+            -DCMAKE_CUDA_ARCHITECTURES="86" \
+            -DPython_EXECUTABLE:FILE="${{ steps.python_path.outputs.python }}" \
+            -G Ninja
+          cmake --build ./Build
+          cd ./Build
+          mkdir -p ./tests/results
+          for file in *runner ; do ./$file --order lex --reporter junit --out ./tests/results/report_$file.xml; done;
+          for file in *runner_mpi ; do /opt/mpi/${{ matrix.mpilib }}/bin/mpirun -np 2 ./$file --order lex --reporter junit --out ./tests/results/report_$file.xml; done;
+          lcov --directory . -b ../pennylane_lightning/src --capture --output-file coverage.info
+          lcov --remove coverage.info '/usr/*' --output-file coverage.info
+          mv coverage.info coverage-${{ github.job }}-lightning_gpu_${{ matrix.mpilib }}.info
+
+      - name: Upload test results
+        uses: actions/upload-artifact@v3
+        if: always()
+        with:
+          if-no-files-found: error
+          name: ubuntu-tests-reports
+          path: ./Build/tests/results/
+
+      - name: Upload code coverage results
+        uses: actions/upload-artifact@v3
+        with:
+          if-no-files-found: error
+          name: ubuntu-codecov-results-cpp
+          path: ./Build/coverage-${{ github.job }}-lightning_gpu_${{ matrix.mpilib }}.info
+
+      - name: Cleanup
+        if: always()
+        run: |
+          rm -rf ${{ steps.setup_venv.outputs.venv_name }}
+          rm -rf * .git .gitignore .github
+          pip cache purge
+
+
+  python_tests:
+    if: contains(github.event.pull_request.labels.*.name, 'ci:use-multi-gpu-runner') || (inputs.lightning-version != '' && inputs.pennylane-version != '')
+    runs-on:
+      - self-hosted
+      - linux
+      - x64
+      - ubuntu-22.04
+      - multi-gpu
+    strategy:
+      max-parallel: 1
+      matrix:
+        mpilib: ["mpich", "openmpi"]
+    timeout-minutes: 30
+
+    steps:
+      - name: Checkout pennyLane-lightning-gpu
+        uses: actions/checkout@v3
+        with:
+          fetch-tags: true
+
+      - name: Switch to stable build of Lightning-GPU
+        if: inputs.lightning-version == 'stable'
+        run: |
+          git fetch tags --force
+          git checkout $(git tag | sort -V | tail -1)
+
+      - uses: actions/setup-python@v4
+        id: setup_python
+        name: Install Python
+        with:
+          python-version: '3.9'
+
+      # Since the self-hosted runner can be re-used. It is best to set up all package
+      # installations in a virtual environment that gets cleaned at the end of each workflow run
+      - name: Setup Python virtual environment
+        id: setup_venv
+        env:
+          VENV_NAME: ${{ github.workspace }}/venv_${{ steps.setup_python.outputs.python-version }}_${{ github.sha }}
+        run: |
+          # Clear any pre-existing venvs
+          rm -rf venv_*
+
+          # Create new venv for this workflow_run
+          python --version
+          python -m venv ${{ env.VENV_NAME }}
+
+          # Add the venv to PATH for subsequent steps
+          echo ${{ env.VENV_NAME }}/bin >> $GITHUB_PATH
+
+          # Adding venv name as an output for subsequent steps to reference if needed
+          source ${{ env.VENV_NAME }}/bin/activate
+          echo "venv_name=${{ env.VENV_NAME }}" >> $GITHUB_OUTPUT
+
+      - name: Display Python-Path
+        id: python_path
+        run: |
+          py_path=$(which python)
+          echo "Python Interpreter Path => $py_path"
+          echo "python=$py_path" >> $GITHUB_OUTPUT
+
+          pip_path=$(which python)
+          echo "PIP Path => $pip_path"
+          echo "pip=$pip_path" >> $GITHUB_OUTPUT
+
+      - name: Install Latest PennyLane
+        # We want to install the latest PL on non workflow_call events
+        if: inputs.pennylane-version == 'latest'  || inputs.pennylane-version == ''
+        run: python -m pip install git+https://github.com/PennyLaneAI/pennylane.git@master
+
+      - name: Install required packages
+        run: |
+          source /etc/profile.d/modules.sh && module use /opt/modules/ && module load ${{ matrix.mpilib }}
+          python -m pip install pip~=22.0
+          python -m pip install ninja cmake custatevec-cu11 pytest pytest-mock flaky pytest-cov mpi4py
+          SKIP_COMPILATION=True PL_BACKEND=lightning_qubit python -m pip install -e . -vv
+
+      - name: Build and install package
+        env:
+          CUQUANTUM_SDK: $(python -c "import site; print( f'{site.getsitepackages()[0]}/cuquantum/lib')")
+        run: |
+          source /etc/profile.d/modules.sh && module use /opt/modules/ && module load ${{ matrix.mpilib }}
+          PL_BACKEND=lightning_gpu python setup.py build_ext -i --define="CMAKE_CXX_COMPILER=mpicxx;ENABLE_MPI=ON;CMAKE_CUDA_COMPILER=/usr/local/cuda/bin/nvcc;CMAKE_CUDA_ARCHITECTURES=${{ env.CI_CUDA_ARCH }};Python_EXECUTABLE=${{ steps.python_path.outputs.python }}"
+          PL_BACKEND=lightning_gpu python -m pip install -e . --verbose
+
+      - name: Run PennyLane-Lightning-GPU unit tests
+        run: |
+          source /etc/profile.d/modules.sh && module use /opt/modules/ && module load ${{ matrix.mpilib }}
+          PL_DEVICE=lightning.gpu python -m pytest ./tests/ $COVERAGE_FLAGS
+          mv coverage.xml coverage-${{ github.job }}-lightning_gpu_${{ matrix.mpilib }}-0.xml
+          PL_DEVICE=lightning.gpu /opt/mpi/${{ matrix.mpilib }}/bin/mpirun -np 2 python -m pytest ./mpitests $COVERAGE_FLAGS
+          mv coverage.xml coverage-${{ github.job }}-lightning_gpu_${{ matrix.mpilib }}-1.xml
+          # PL_DEVICE=lightning.gpu /opt/mpi/${{ matrix.mpilib }}/bin/mpirun --oversubscribe -n 4 pytest -s -x mpitests/test_device.py -k test_create_device $COVERAGE_FLAGS
+
+      - name: Upload code coverage results
+        uses: actions/upload-artifact@v3
+        with:
+          name: ubuntu-codecov-results-python
+          path: coverage-${{ github.job }}-lightning_gpu_${{ matrix.mpilib }}-*.xml
+          if-no-files-found: error
+
+      - name: Cleanup
+        if: always()
+        run: |
+          rm -rf ${{ steps.setup_venv.outputs.venv_name }}
+          rm -rf * .git .gitignore .github
+          pip cache purge
+
+  upload-to-codecov-linux-cpp:
+    needs: ["cpp_tests"]
+    name: Upload coverage data to codecov
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v3
+
+      - name: Download coverage reports
+        uses: actions/download-artifact@v3
+        with:
+          name: ubuntu-codecov-results-cpp
+
+      - name: Upload to Codecov
+        uses: codecov/codecov-action@v3
+        with:
+          fail_ci_if_error: true
+          verbose: true
+          token: ${{ secrets.CODECOV_TOKEN }}
+
+      - name: Cleanup
+        if: always()
+        run: |
+          rm -rf ${{ steps.setup_venv.outputs.venv_name }}
+          rm -rf * .git .gitignore .github
+          pip cache purge
+
+  upload-to-codecov-linux-python:
+    needs: ["python_tests"]
+    name: Upload coverage data to codecov
+    runs-on: ubuntu-latest
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v3
+
+      - name: Download coverage reports
+        uses: actions/download-artifact@v3
+        with:
+          name: ubuntu-codecov-results-python
+
+      - name: Upload to Codecov
+        uses: codecov/codecov-action@v3
+        with:
+          fail_ci_if_error: true
+          verbose: true
+          token: ${{ secrets.CODECOV_TOKEN }}
+
+      - name: Cleanup
+        if: always()
+        run: |
+          rm -rf ${{ steps.setup_venv.outputs.venv_name }}
+          rm -rf * .git .gitignore .github
+          pip cache purge