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Implements native support for Sparse Hamiltonians expval() calculation with Kokkos (#283)
* add Kokkos building and test options * Auto update version * Auto update version * checking threads in windows * add Kokkos serial test * set Kokkos Serial device for Win and Mac * Increase maximum full-path length allowed in Win * oops wrong size * set Win wheel to be built without Ninja * setup clang-cl for Win * implement methods to apply a sparse matrix to a vector with Kokkos * Implement the expected value calculation of a Sparse Hamiltonian * add tests * Auto update version * improve format * set Kokkos and Kokkos Kernel directories as system type to avoid clang-tidy inspection * add python tests * add python/C++ interface * make Kokkos installations Position Independent Code * Auto update version * Trigger CI * set environment variables for Kokkos * remove set environment variables for Kokkos * long path in Windows * fix windows wheel * codecov * long path * powershell command * default generator for windows * remove ilammy from Win Wheel * powershell command back * comment CMAKE_OBJECT_PATH_MAX * set CMAKE_OBJECT_PATH_MAX * Auto update version * Trigger CI * Reduce character limit * Auto update version * Fix veresion * Add shell=True in cmake subprocess for Windows * Add shell=True in cmake subprocess for Windows * Call cibuildwheel directly from the shell * Revert shell * improve Python bindings * change expval of sparse Hamiltonians to use pointers as input * update the new PL_REQUIRE_THROWS_MATCHES and PL_CHECK_THROWS_MATCHES to work nicely with PL_ABORT_IF * update Measures.hpp safety checks to PL_ABORT_IF * update c++ tests * update Kokkos and Kokkos Kernels version * fix format * improve documentation * simplify cmake file and set Serial device for all cases. * update CHANGELOG * Auto update version * Trigger CI * update CHANGELOG * remove use_csingle * Update .github/CHANGELOG.md Co-authored-by: Lee James O'Riordan <[email protected]> * update python tests and bring use_csingle back * format * update test options * remove use_csingle * remove references ENABLE_THREADS * win64_path_fix: ensure paths are x-platform compatible * win64_path_fix: Manually unpack and modify wheel / Fix pwsh * codefactor * add collaboration * tag windows as latest * uncommenting release line * testing size_t as index type in the new Kokkos version and reducing preprocessor statements * set index_type as long int * remove underscore and Enable Kokkos as a compile option * fix typo * removing preprocessor ifdef statements * refactor apply_Sparse_Matrix * move and update some helpers and update tests for measures * places tests for sparse measures in its own file * codefactor * Tidy * fix element placement * Trigger CI * Trigger CI * Default Kokkos to OFF * tidying up test-cpp-kokkos * add Kokkos tests for Linux * default expval to default.qubit in a no-Kokkos scenario * format * codefactor * add maybe unused to no Kokkos apply_Sparse_Matrix * add tests with Kokkos in Windows * clang-cl compiler * improve PL_ABORT message * Enable long path in Win * set location * Auto-update version * set a file for sparse measures python tests * expand python tests * expand c++ coverage * format * refactor apply_Sparse_Matrix and expand python test coverage in Linux. * codefactor * add setup install * exclude line in coverage * update tests * remove codecov comment * improve python tests * testing no cover * undo test * test exclude block from codecov analysis * test merge tests and upgrade Linux * update tests_linux * add unit tests for Kokkos Sparse * add control to throwing exceptions and remove unnecessary attributes * remove unnecessary tests * include Acknowledgements in the Readme file Co-authored-by: Lee J. O'Riordan <[email protected]> Co-authored-by: Chae-Yeun Park <[email protected]>
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‎.github/CHANGELOG.md

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@@ -20,6 +20,9 @@ dev2 = qml.device('lightning.qubit', wires=4, c_dtype=np.complex128) # for doubl
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* Split matrix operations, refactor dispatch mechanisms, and add a benchmark suits.
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[(#274)](https://github.com/PennyLaneAI/pennylane-lightning/pull/274)
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* Add native support for the calculation of sparse Hamiltonians' expectation values. Sparse operations are offloaded to [Kokkos](https://github.com/kokkos/kokkos) and [Kokkos-Kernels](https://github.com/kokkos/kokkos-kernels).
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[(#283)](https://github.com/PennyLaneAI/pennylane-lightning/pull/283)
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### Documentation
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* Use the centralized [Xanadu Sphinx Theme](https://github.com/XanaduAI/xanadu-sphinx-theme)
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This release contains contributions from (in alphabetical order):
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Mikhail Andrenkov, Ali Asadi, Chae-Yeun Park
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Ali Asadi, Amintor Dusko, Chae-Yeun Park, Lee James O'Riordan, Mikhail Andrenkov
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---
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‎.github/workflows/tests_linux.yml

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files: ./BuildCov/coverage.info
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fail_ci_if_error: true
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cpptestswithkokkos:
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name: C++ tests (Linux, Kokkos and Kokkos Kernels)
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runs-on: ${{ matrix.os }}
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strategy:
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matrix:
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os: [ubuntu-20.04]
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steps:
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- name: Cancel previous runs
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uses: styfle/[email protected]
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with:
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access_token: ${{ github.token }}
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- uses: actions/setup-python@v2
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name: Install Python
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with:
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python-version: '3.7'
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- uses: actions/checkout@v2
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with:
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fetch-depth: 2
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- name: Install dependencies
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run: sudo apt-get update && sudo apt-get -y -q install cmake gcc g++ gcovr lcov
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- name: Build and run unit tests for code coverage
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run: |
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cmake pennylane_lightning/src -BBuildCov -DCMAKE_BUILD_TYPE=RelWithDebInfo -DBUILD_TESTS=ON -DENABLE_COVERAGE=ON -DENABLE_KOKKOS=ON
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cmake --build ./BuildCov
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cd ./BuildCov
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mkdir -p ./tests/results
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./tests/runner --order lex --reporter junit --out ./tests/results/report.xml
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lcov --directory . -b ../pennylane_lightning/src --capture --output-file coverage.info
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lcov --remove coverage.info '/usr/*' --output-file coverage.info
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- name: Upload coverage to Codecov
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uses: codecov/codecov-action@v2
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with:
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files: ./BuildCov/coverage.info
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fail_ci_if_error: true
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- name: Upload test results
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uses: actions/upload-artifact@v2
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if: always()
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with:
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name: ubuntu-test-report
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path: BuildCov/tests/results/report.xml
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- name: Publish test results
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uses: EnricoMi/publish-unit-test-result-action@v1
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if: always()
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with:
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check_name: Test Report (C++) on Ubuntu
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files: BuildCov/tests/results/report.xml
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cppbenchmarksuite:
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name: C++ Benchmark Suite (Linux, OpenBLAS)
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runs-on: ${{ matrix.os }}
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with:
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files: ./main/coverage.xml
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fail_ci_if_error: true
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pythontestsKokkos:
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name: Python tests with Kokkos and Kokkos Kernels
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runs-on: ${{ matrix.os }}
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strategy:
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matrix:
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os: [ubuntu-20.04]
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steps:
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- name: Checkout PennyLane-Lightning
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uses: actions/checkout@v2
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with:
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path: main
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fetch-depth: 2
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- uses: actions/setup-python@v2
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name: Install Python
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with:
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python-version: '3.7'
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- name: Install dependencies
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run: sudo apt-get update && sudo apt-get -y -q install cmake gcc g++
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- name: Get required Python packages
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run: |
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cd main
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python -m pip install --upgrade pip
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pip install -r requirements.txt
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pip uninstall pennylane -y
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pip install git+https://github.com/PennyLaneAI/pennylane.git
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- name: Install ML libraries for interfaces
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run: |
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pip install --upgrade torch==$TORCH_VERSION -f https://download.pytorch.org/whl/cpu/torch_stable.html
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pip install --upgrade "jax[cpu]" # This also installs jaxlib
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pip install --upgrade tensorflow==$TF_VERSION keras==$TF_VERSION
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- name: Install lightning.qubit device
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run: |
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cd main
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python setup.py build_ext --define="ENABLE_KOKKOS=ON"
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pip install -e .
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- name: Run PennyLane-Lightning unit tests
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run: |
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cd main/
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pytest tests/ $COVERAGE_FLAGS
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pl-device-test --device lightning.qubit --skip-ops --shots=20000 $COVERAGE_FLAGS --cov-append
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pl-device-test --device lightning.qubit --shots=None --skip-ops $COVERAGE_FLAGS --cov-append
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- name: Upload coverage to Codecov
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uses: codecov/codecov-action@v2
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with:
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files: ./main/coverage.xml
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fail_ci_if_error: true

‎.github/workflows/tests_windows.yml

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cpptestswithkokkos:
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name: C++ tests (Windows, Kokkos and Kokkos Kernels)
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runs-on: ${{ matrix.os }}
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strategy:
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matrix:
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os: [windows-latest]
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steps:
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- name: Cancel previous runs
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uses: styfle/[email protected]
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with:
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access_token: ${{ github.token }}
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- uses: actions/checkout@v2
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with:
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fetch-depth: 2
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- name: Configure MSVC for amd64 # Use cl.exe as a default compiler
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uses: ilammy/msvc-dev-cmd@v1
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with:
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arch: amd64
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- name: Setup OpenCppCoverage and add to PATH
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run: |
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choco install OpenCppCoverage -y
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echo "C:\Program Files\OpenCppCoverage" >> $env:GITHUB_PATH
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- name: Enable long paths
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run: |
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powershell.exe New-ItemProperty -Path "HKLM:\SYSTEM\CurrentControlSet\Control\FileSystem" -Name "LongPathsEnabled" -Value 1 -PropertyType DWORD -Force
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- name: Build and run unit tests for code coverage
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run: |
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Subst Z: (pwd)
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Set-Location -Path "Z:\"
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cmake ./pennylane_lightning/src -BBuild -DBUILD_TESTS=ON -DENABLE_KOKKOS=ON -DENABLE_OPENMP=OFF -DENABLE_WARNINGS=OFF -T clangcl
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cmake --build ./Build --config Debug
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mkdir -p ./Build/tests/results
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.\Build\tests\Debug\runner.exe --order lex --reporter junit --out .\Build\tests\results\report.xml
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OpenCppCoverage --sources pennylane_lightning\src --export_type cobertura:coverage.xml Build\tests\Debug\runner.exe
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- name: Upload test results
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uses: actions/upload-artifact@v2
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if: always()
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with:
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name: windows-test-report
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path: .\Build\tests\results\report.xml
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- name: Upload Report to Codecov
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uses: codecov/codecov-action@v2
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with:
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files: ./coverage.xml
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fail_ci_if_error: true

‎.github/workflows/wheel_win_x86_64.yml

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env:
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CIBW_BUILD: 'cp37-* cp38-* cp39-* cp310-*'
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CIBW_ARCHS_WINDOWS: "AMD64"
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# Python build settings
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pip install pybind11 ninja cmake
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# Testing of built wheels
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pip install git+https://github.com/PennyLaneAI/pennylane.git@master
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python -c "import sys; print(sys.path)"
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pl-device-test --device=lightning.qubit --skip-ops -x --tb=short --no-flaky-report
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MSSdk: 1
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matrix:
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py_version: ["3.7", "3.8", "3.9", "3.10"]
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name: ${{ matrix.os }}
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runs-on: ${{ matrix.os }}
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id: branch-name
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- uses: actions/checkout@v2
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- name: Enable long paths
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run: |
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powershell.exe New-ItemProperty -Path "HKLM:\SYSTEM\CurrentControlSet\Control\FileSystem" -Name "LongPathsEnabled" -Value 1 -PropertyType DWORD -Force
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- uses: actions/checkout@v3
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- uses: actions/setup-python@v2
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name: Install Python
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with:
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python-version: '3.7'
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python-version: ${{ matrix.py_version }}
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- name: Configure MSVC for amd64 # Use cl.exe as a default compiler
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uses: ilammy/msvc-dev-cmd@v1
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with:
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arch: amd64
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- name: Install cibuildwheel
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run: python -m pip install cibuildwheel==2.3.0
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- name: Build wheels
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uses: pypa/[email protected]
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run: |
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Subst Z: (pwd)
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Set-Location -Path "Z:\"
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python -m pip install wheel cmake ninja build
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python setup.py bdist_wheel
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Set-Location -Path "./dist"
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foreach ($i in Get-ChildItem -Path ./*.whl){
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python -m wheel unpack $i.Name
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$name = $i.Name
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$dirName = python -c "s = '$name'; print('-'.join(s.split('-')[0:2]))"
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if (Test-Path -Path $dirName\pennylane_lightning\Debug) {
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Move-Item -Path $dirName\pennylane_lightning\Debug\* -Destination $dirName\pennylane_lightning
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Remove-Item $dirName\pennylane_lightning\Debug -Recurse
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python -m wheel pack $dirName
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}
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Remove-Item $dirName -Recurse
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}
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- name: Test wheel
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run: |
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Set-Location -Path "Z:\"
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foreach ($i in Get-ChildItem -Path Z:\dist\*.whl){ python -m pip install $i }
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python -m pip install git+https://github.com/PennyLaneAI/pennylane.git@master && `
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python -m pip install pytest pytest-cov pytest-mock flaky && `
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pl-device-test --device=lightning.qubit --skip-ops -x --tb=short --no-flaky-report
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- uses: actions-ecosystem/action-regex-match@v2
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id: rc_build
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if: ${{ github.event_name == 'release' || github.ref == 'refs/heads/master' || steps.rc_build.outputs.match != ''}}
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name: ${{ runner.os }}-wheels.zip
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path: Z:\dist\*.whl
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upload-pypi:
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needs: win-wheels

‎CMakeLists.txt

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cmake_minimum_required(VERSION 3.14)
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cmake_minimum_required(VERSION 3.16)
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set(LOGO [=[
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░█░░░▀█▀░█▀▀░█░█░▀█▀░█▀█░▀█▀░█▀█░█▀▀░░░░▄▀▄░█░█░█▀▄░▀█▀░▀█▀
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option(ENABLE_NATIVE "Enable native CPU build tuning" OFF)
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option(ENABLE_AVX "Enable AVX support" OFF)
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option(ENABLE_OPENMP "Enable OpenMP" ON)
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option(ENABLE_KOKKOS "Enable Kokkos" OFF)
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option(ENABLE_BLAS "Enable BLAS" OFF)
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# Other build options

‎Makefile

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cmake --build ./BuildTests --target runner
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test-cpp-kokkos:
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rm -rf ./BuildTests
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cmake $(LIGHTNING_CPP_DIR) -BBuildTests -DBUILD_TESTS=ON -DENABLE_KOKKOS=ON
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cmake --build ./BuildTests --target runner
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cmake --build ./BuildTests --target test
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.PHONY: benchmark
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benchmark:
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cmake --build BuildBench --target clean || true
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rm -rf ./BuildBench/CMakeCache.txt ./BuildBench/compiler_info.txt ./BuildBench/run_gate_benchmark.sh
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cmake $(LIGHTNING_CPP_DIR) -BBuildBench -DBUILD_EXAMPLES=ON -DCMAKE_BUILD_TYPE=Release -DENABLE_AVX=ON
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cmake --build ./BuildBench
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.PHONY: gbenchmark
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gbenchmark:
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rm -rf ./BuildGBench

‎README.rst

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$ make
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Other supported options are ``-DENABLE_WARNINGS=ON``,
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``-DENABLE_NATIVE=ON`` (for ``-march=native``),
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``-DENALBE_OPENMP=ON``, ``-DENALBE_BLAS=ON``, and
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``-DENABLE_CLANG_TIDY=ON``.
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``-DENABLE_NATIVE=ON`` (for ``-march=native``),
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``-DENABLE_BLAS=ON``, ``-DENABLE_OPENMP=ON``,
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``-DENABLE_KOKKOS=ON``, and ``-DENABLE_CLANG_TIDY=ON``.
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Compile on Windows with MSVC
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----------------------------
@@ -237,3 +236,12 @@ The PennyLane lightning plugin is **free** and **open source**, released under
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the `Apache License, Version 2.0 <https://www.apache.org/licenses/LICENSE-2.0>`_.
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.. license-end-inclusion-marker-do-not-remove
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Acknowledgements
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================
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PennyLane Lightning makes use of the following libraries and tools, which are under their own respective licenses:
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- **pybind11:** https://pybind11.readthedocs.io/en/stable/ [`License <https://github.com/pybind/pybind11/blob/master/LICENSE>`_]
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- **Kokkos Core:** https://github.com/kokkos/kokkos [`License <https://github.com/kokkos/kokkos/blob/master/LICENSE>`_]
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- **Kokkos Kernels:** https://github.com/kokkos/kokkos-kernels [`License <https://github.com/kokkos/kokkos-kernels/blob/master/LICENSE>`_]

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