From de1dc09cd9fc315c4f796e4aca219528ef0bfa2b Mon Sep 17 00:00:00 2001
From: Amintor Dusko <87949283+AmintorDusko@users.noreply.github.com>
Date: Mon, 12 Aug 2024 17:41:25 -0400
Subject: [PATCH] Update Lightning packaging to follow the PEP 517/518/621/660
 standards (#832)

**Context:** This PR updates the Lightning Python packaging to the
latest standard. This allows us to eliminate pip~=22.0 from
requirements*.txt, comply with up-to-date build practices, and fix the
inability to build Lightning in place on newer Python environments.

**Description of the Change:** Most of the building configuration was
moved to the ``pyproject.toml`` file. We kept the ``setup.py`` file
working with setuptools in part of the configuration pre-processing. A
script with some pre-pre-processing was added to configure the
``pyproject.toml`` file for each backend.

**Benefits:** Follow the new standard. Allows the use of more up-to-date
pip versions. There will be no impact on the final user, as the
installation of the wheels is unaffected by the change in packaging.

**Possible Drawbacks:** When building and installing Lightning backends
from scratch, we need to run the configuration script. If not the
installation will default to ``lightning.qubit``, or the last
configuration.

**Related GitHub Issues:**

[sc-65227]

---------

Co-authored-by: ringo-but-quantum <github-ringo-but-quantum@xanadu.ai>
Co-authored-by: Lee James O'Riordan <mlxd@users.noreply.github.com>
Co-authored-by: Vincent Michaud-Rioux <vincentm@nanoacademic.com>
---
 .github/CHANGELOG.md                          |   5 +-
 .github/workflows/format.yml                  |   2 +-
 .github/workflows/tests_lgpu_python.yml       |  11 +-
 .github/workflows/tests_lgpumpi_python.yml    |   6 +-
 .github/workflows/tests_lkcpu_python.yml      |   8 +-
 .github/workflows/tests_lkcuda_python.yml     |  17 ++-
 .../workflows/tests_lmps_tncuda_python.yml    |  38 +++----
 .github/workflows/tests_lqcpu_python.yml      |   5 +-
 .github/workflows/tests_windows_cpp.yml       |   2 +-
 .github/workflows/tests_without_binary.yml    |  29 ++---
 .github/workflows/wheel_linux_aarch64.yml     |  15 ++-
 .github/workflows/wheel_linux_ppc64le.yml     |   9 +-
 .github/workflows/wheel_linux_x86_64.yml      |  23 ++--
 .github/workflows/wheel_linux_x86_64_cuda.yml |  18 ++--
 .github/workflows/wheel_macos_arm64.yml       |  17 +--
 .github/workflows/wheel_macos_x86_64.yml      |  13 ++-
 .github/workflows/wheel_noarch.yml            |  43 ++++----
 .github/workflows/wheel_win_x86_64.yml        |  13 ++-
 .gitignore                                    |   1 +
 .readthedocs.yml                              |  10 +-
 CMakeLists.txt                                |   8 +-
 MANIFEST.in                                   |   4 +
 Makefile                                      |  15 ++-
 README.rst                                    |  44 ++++----
 docker/Dockerfile                             |  21 ++--
 pennylane_lightning/core/__init__.py          |   2 +-
 pennylane_lightning/core/_version.py          |   2 +-
 pennylane_lightning/lightning_gpu/__init__.py |   2 +-
 .../lightning_kokkos/__init__.py              |   2 +-
 .../lightning_qubit/__init__.py               |   2 +-
 pyproject.toml                                |  28 +++++
 requirements-dev.txt                          |   2 +-
 scripts/backend_support.py                    |  56 ++++++++++
 scripts/configure_pyproject_toml.py           |  99 +++++++++++++++++
 scripts/gen_pyver_matrix.py                   |   4 +-
 setup.py                                      | 101 ++----------------
 36 files changed, 402 insertions(+), 275 deletions(-)
 create mode 100644 pyproject.toml
 create mode 100755 scripts/backend_support.py
 create mode 100755 scripts/configure_pyproject_toml.py
 mode change 100644 => 100755 scripts/gen_pyver_matrix.py

diff --git a/.github/CHANGELOG.md b/.github/CHANGELOG.md
index 45a716643..9657e8129 100644
--- a/.github/CHANGELOG.md
+++ b/.github/CHANGELOG.md
@@ -3,7 +3,7 @@
 ### New features since last release
 
 * Add `var` support to `lightning.tensor`. Note that `var` support is added via `obs**2` and this implementation scales `O(num_obs**2)`.
-  [(#804)](https://github.com/PennyLaneAI/pennylane-lightning/pull/804) 
+  [(#804)](https://github.com/PennyLaneAI/pennylane-lightning/pull/804)
 
 ### Breaking changes
 
@@ -16,6 +16,9 @@
 * Do not run GPU tests and Docker workflows on release.
   [(#788)](https://github.com/PennyLaneAI/pennylane-lightning/pull/788)
 
+* Update python packaging to follow PEP 517/518/621/660 standards.
+  [(#832)](https://github.com/PennyLaneAI/pennylane-lightning/pull/832)
+
 ### Improvements
 
 * `ENABLE_LAPACK` is off by default for all Lightning backends.
diff --git a/.github/workflows/format.yml b/.github/workflows/format.yml
index bc29a7dfb..2fd60dda5 100644
--- a/.github/workflows/format.yml
+++ b/.github/workflows/format.yml
@@ -38,7 +38,7 @@ jobs:
         uses: actions/checkout@v4
 
       - name: Install dependencies
-        run: sudo apt update && sudo apt -y install python3 python3-pip && python -m pip install pip~=22.0 && python3 -m pip install -r requirements-dev.txt
+        run: sudo apt update && sudo apt -y install python3 python3-pip python-is-python3 && python -m pip install -r requirements-dev.txt
 
       - name: Run formatter
         run: PATH=$PATH:/home/ubuntu/.local/bin/:$(dirname $(which python3))/ ./bin/format --check ./pennylane_lightning/core/src
diff --git a/.github/workflows/tests_lgpu_python.yml b/.github/workflows/tests_lgpu_python.yml
index 51f02859b..12b61392a 100644
--- a/.github/workflows/tests_lgpu_python.yml
+++ b/.github/workflows/tests_lgpu_python.yml
@@ -64,7 +64,6 @@ jobs:
     strategy:
       matrix:
         pl_backend: ["lightning_gpu"]
-        default_backend: ["lightning_qubit"]
         cuda_version: ["12"]
 
     name: Python Tests (${{ matrix.pl_backend }}, cuda-${{ matrix.cuda_version }})
@@ -129,8 +128,7 @@ jobs:
           echo "venv_name=${{ env.VENV_NAME }}" >> $GITHUB_OUTPUT
           echo "Python_ROOT_DIR=${{ env.VENV_NAME }}" >> $GITHUB_ENV
           echo "Python3_ROOT_DIR=${{ env.VENV_NAME }}" >> $GITHUB_ENV
-          
-                    
+
           # Adding venv site-packages to output for subsequent step to referecen if needed
           echo "site_packages_dir=$(${{ env.VENV_NAME }}/bin/python -c 'import sysconfig; print(sysconfig.get_path("platlib"))')" >> $GITHUB_OUTPUT
 
@@ -179,12 +177,13 @@ jobs:
         run: |
           cd main
           rm -rf build
-          CMAKE_ARGS="-DPL_BACKEND=${{ matrix.default_backend }} -DENABLE_PYTHON=ON -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)" \
+          PL_BACKEND=lightning_qubit python scripts/configure_pyproject_toml.py
+          CMAKE_ARGS="-DENABLE_PYTHON=ON -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)" \
           python -m pip install . -vv
-          rm -rf build
 
           rm -rf build
-          CMAKE_ARGS="-DPL_BACKEND=${{ matrix.pl_backend }} -DENABLE_PYTHON=ON -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION) -DPython_EXECUTABLE=${{ steps.python_path.outputs.python }}" \
+          PL_BACKEND=${{ matrix.pl_backend }} python scripts/configure_pyproject_toml.py
+          CMAKE_ARGS="-DENABLE_PYTHON=ON -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION) -DPython_EXECUTABLE=${{ steps.python_path.outputs.python }}" \
           python -m pip install . -vv
 
       - name: Run PennyLane-Lightning-GPU unit tests
diff --git a/.github/workflows/tests_lgpumpi_python.yml b/.github/workflows/tests_lgpumpi_python.yml
index 9a27030a0..ab2eda478 100644
--- a/.github/workflows/tests_lgpumpi_python.yml
+++ b/.github/workflows/tests_lgpumpi_python.yml
@@ -110,7 +110,8 @@ jobs:
           python -m pip install -r requirements-dev.txt
 
           python -m pip install custatevec-cu${{ matrix.cuda_version_maj }} mpi4py openfermionpyscf
-          PL_BACKEND=lightning_qubit python -m pip install . -vv
+          PL_BACKEND=lightning_qubit python scripts/configure_pyproject_toml.py
+          python -m pip install . -vv
 
       - name: Checkout PennyLane for release build
         if: inputs.pennylane-version == 'release'
@@ -132,8 +133,9 @@ jobs:
           CUQUANTUM_SDK: $(python -c "import site; print( f'{site.getsitepackages()[0]}/cuquantum')")
         run: |
           source /etc/profile.d/modules.sh && module use /opt/modules/ && module load ${{ matrix.mpilib }}/cuda-${{ matrix.cuda_version_maj }}.${{ matrix.cuda_version_min }}
+          PL_BACKEND=lightning_gpu python scripts/configure_pyproject_toml.py
           CMAKE_ARGS="-DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx -DENABLE_MPI=ON -DCMAKE_CUDA_COMPILER=$(which nvcc) -DCMAKE_CUDA_ARCHITECTURES=${{ env.CI_CUDA_ARCH }} -DPython_EXECUTABLE=${{ steps.python_path.outputs.python }}" \
-          PL_BACKEND=lightning_gpu python -m pip install . --verbose
+          python -m pip install . -vv
 
       # There are issues running py-cov with MPI. A solution is to use coverage as reported
       # [here](https://github.com/pytest-dev/pytest-cov/issues/237#issuecomment-544824228)
diff --git a/.github/workflows/tests_lkcpu_python.yml b/.github/workflows/tests_lkcpu_python.yml
index 1dbad0070..b7d674311 100644
--- a/.github/workflows/tests_lkcpu_python.yml
+++ b/.github/workflows/tests_lkcpu_python.yml
@@ -117,13 +117,14 @@ jobs:
           cd main
           python -m pip install -r requirements-dev.txt
 
-      - name: Create device wheel
+      - name: Configure and build device wheel
         env:
           PL_BACKEND: ${{ matrix.pl_backend }}
         run: |
           cd main
-          python setup.py build_ext -i --define="PL_BACKEND=${{ matrix.pl_backend }};CMAKE_PREFIX_PATH=${{ github.workspace }}/Kokkos;ENABLE_PYTHON=ON;CMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)"
-          python setup.py bdist_wheel
+          python scripts/configure_pyproject_toml.py
+          CMAKE_ARGS="-DCMAKE_PREFIX_PATH=${{ github.workspace }}/Kokkos -DENABLE_PYTHON=ON -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)" \
+          python -m build
           cd dist
           WHEEL_NAME=$(ls *.whl)
           cp $WHEEL_NAME ${{ github.workspace }}/wheel_${{ matrix.pl_backend }}-${{ matrix.exec_model }}.whl
@@ -211,6 +212,7 @@ jobs:
           python -m pip install -r requirements-dev.txt
           python -m pip install openfermionpyscf
           if [ '${{ inputs.lightning-version }}' != 'stable' ]; then
+            python scripts/configure_pyproject_toml.py
             SKIP_COMPILATION=True python -m pip install . -vv
           fi
           python -m pip install ${{ github.workspace }}/$WHEEL_NAME --no-deps
diff --git a/.github/workflows/tests_lkcuda_python.yml b/.github/workflows/tests_lkcuda_python.yml
index 45b012175..ac0646898 100644
--- a/.github/workflows/tests_lkcuda_python.yml
+++ b/.github/workflows/tests_lkcuda_python.yml
@@ -241,8 +241,12 @@ jobs:
         run: |
           ls -l ${{ github.workspace }}/Kokkos
           cd main
-          SKIP_COMPILATION=True PL_BACKEND="lightning_qubit" python -m pip install . -vv
-          CMAKE_ARGS="-DPL_BACKEND=${{ matrix.pl_backend }} -DCMAKE_PREFIX_PATH=${{ github.workspace }}/Kokkos -DENABLE_PYTHON=ON -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)" \
+
+          PL_BACKEND=lightning_qubit python scripts/configure_pyproject_toml.py
+          SKIP_COMPILATION=True python -m pip install . -vv
+
+          PL_BACKEND=${{ matrix.pl_backend }} python scripts/configure_pyproject_toml.py
+          CMAKE_ARGS="-DCMAKE_PREFIX_PATH=${{ github.workspace }}/Kokkos -DENABLE_PYTHON=ON -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)" \
           python -m pip install . -vv
 
       - name: Run PennyLane-Lightning unit tests
@@ -262,10 +266,13 @@ jobs:
         if: ${{ matrix.pl_backend == 'all' }}
         run: |
           cd main
-          CMAKE_ARGS="-DPL_BACKEND="lightning_qubit" -DCMAKE_PREFIX_PATH=${{ github.workspace }}/Kokkos -DENABLE_PYTHON=ON -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)" \
+
+          PL_BACKEND=lightning_qubit python scripts/configure_pyproject_toml.py
+          CMAKE_ARGS="-DENABLE_PYTHON=ON -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)" \
           python -m pip install . -vv
-          rm -rf build
-          CMAKE_ARGS="-DPL_BACKEND="lightning_kokkos" -DCMAKE_PREFIX_PATH=${{ github.workspace }}/Kokkos -DENABLE_PYTHON=ON -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)" \
+
+          PL_BACKEND="lightning_kokkos" python scripts/configure_pyproject_toml.py
+          CMAKE_ARGS="-DCMAKE_PREFIX_PATH=${{ github.workspace }}/Kokkos -DENABLE_PYTHON=ON -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)" \
           python -m pip install . -vv
 
       - name: Run PennyLane-Lightning unit tests for lightning.qubit with all devices installed
diff --git a/.github/workflows/tests_lmps_tncuda_python.yml b/.github/workflows/tests_lmps_tncuda_python.yml
index 1bfec32e0..d10eb0254 100644
--- a/.github/workflows/tests_lmps_tncuda_python.yml
+++ b/.github/workflows/tests_lmps_tncuda_python.yml
@@ -60,7 +60,7 @@ jobs:
           echo "LD_LIBRARY_PATH=${LD_LIBRARY_PATH}" >> $GITHUB_ENV
           nvcc --version
           nvidia-smi
-  
+
   pythontestswithMPSTNCuda:
     if: ${{ !contains(fromJSON('["schedule", "workflow_dispatch"]'), github.event_name) }}
     needs: [builddeps]
@@ -68,12 +68,11 @@ jobs:
       matrix:
         os: [ubuntu-22.04]
         pl_backend: ["lightning_tensor"]
-        default_backend: ["lightning_qubit"]
         pl_tensor_method: ["mps"]
         pl_tensor_backend: ["cutensornet"]
         cuda_version: ["12"]
 
-    name: Python Tests (${{ matrix.pl_backend }}, method-${{ matrix.pl_tensor_method }}, backend-${{ matrix.pl_tensor_backend }}, cuda-${{ matrix.cuda_version }})  
+    name: Python Tests (${{ matrix.pl_backend }}, method-${{ matrix.pl_tensor_method }}, backend-${{ matrix.pl_tensor_backend }}, cuda-${{ matrix.cuda_version }})
     runs-on:
       - ${{ matrix.os }}
       - self-hosted
@@ -92,14 +91,12 @@ jobs:
 
       - name: Checkout PennyLane-Lightning-Tensor-MPS-TNCuda
         uses: actions/checkout@v4
-        with:
-          path: main
 
       - uses: actions/setup-python@v5
         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
@@ -116,13 +113,13 @@ jobs:
 
           # 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 }}" >> $GITHUB_OUTPUT
           echo "Python_ROOT_DIR=${{ env.VENV_NAME }}" >> $GITHUB_ENV
           echo "Python3_ROOT_DIR=${{ env.VENV_NAME }}" >> $GITHUB_ENV
-          
+
           # Adding venv site-packages to output for subsequent step to referecen if needed
           echo "site_packages_dir=$(${{ env.VENV_NAME }}/bin/python -c 'import sysconfig; print(sysconfig.get_path("platlib"))')" >> $GITHUB_OUTPUT
 
@@ -139,7 +136,6 @@ jobs:
 
       - name: Install required packages
         run: |
-          cd main
           python -m pip install -r requirements-dev.txt
           python -m pip install ninja cmake scipy custatevec-cu${{ matrix.cuda_version }} cutensornet-cu${{ matrix.cuda_version }} openfermionpyscf
 
@@ -157,29 +153,25 @@ jobs:
           git fetch --all
           git checkout $(git branch -a --list "origin/v0.*rc*" | sort | tail -1)
           python -m pip uninstall -y pennylane && python -m pip install . -vv --no-deps
-  
+
       - name: Install Stable PennyLane
         if: inputs.pennylane-version == 'stable'
         run: |
-          cd main
           python -m pip uninstall -y pennylane && python -m pip install -U pennylane
-  
-      - name: Build and install package
+
+      - name: Configure and install required backends
         run: |
-          cd main
-          rm -rf build
-          CMAKE_ARGS="-DPL_BACKEND=${{ matrix.default_backend }} -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)" \
-          python -m pip install . -vv
           rm -rf build
-  
+          PL_BACKEND=lightning_qubit python scripts/configure_pyproject_toml.py
+          CMAKE_ARGS="-DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)" python -m pip install . -vv
+
           rm -rf build
-          CMAKE_ARGS="-DPL_BACKEND=${{ matrix.pl_backend }} -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)" \
-          python -m pip install . -vv
-  
+          PL_BACKEND="${{ matrix.pl_backend }}" python scripts/configure_pyproject_toml.py
+          CMAKE_ARGS="-DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)" python -m pip install . -vv
+
       - name: Run PennyLane-Lightning-Tensor unit tests
         if: ${{ matrix.pl_backend != 'all'}}
         run: |
-          cd main/
           DEVICENAME=`echo ${{ matrix.pl_backend }} | sed "s/_/./g"`
           PL_DEVICE=${DEVICENAME} python -m pytest tests $COVERAGE_FLAGS
           mv coverage.xml coverage-${{ github.job }}-${{ matrix.pl_backend }}.xml
@@ -188,7 +180,7 @@ jobs:
         uses: actions/upload-artifact@v3
         with:
           name: ubuntu-codecov-results-python
-          path: ./main/coverage-${{ github.job }}-${{ matrix.pl_backend }}.xml
+          path: coverage-${{ github.job }}-${{ matrix.pl_backend }}.xml
           if-no-files-found: error
 
 
diff --git a/.github/workflows/tests_lqcpu_python.yml b/.github/workflows/tests_lqcpu_python.yml
index 80a9827f7..84307cbaa 100644
--- a/.github/workflows/tests_lqcpu_python.yml
+++ b/.github/workflows/tests_lqcpu_python.yml
@@ -86,8 +86,9 @@ jobs:
         id: create_lq_wheel
         run: |
           cd main
-          python setup.py build_ext -i --define="PL_BACKEND=${{ matrix.pl_backend }};ENABLE_BLAS=${{ matrix.blas }};LQ_ENABLE_KERNEL_OMP=ON;ENABLE_PYTHON=ON;CMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)"
-          PL_BACKEND=${{ matrix.pl_backend }} python setup.py bdist_wheel
+          PL_BACKEND=${{ matrix.pl_backend }} python scripts/configure_pyproject_toml.py
+          CMAKE_ARGS="-DENABLE_BLAS=${{ matrix.blas }} -DLQ_ENABLE_KERNEL_OMP=ON -DENABLE_PYTHON=ON -DCMAKE_CXX_COMPILER=$(which g++-$GCC_VERSION)" \
+          python -m build
           cd dist
           WHEEL_NAME=$(ls *.whl)
           cp $WHEEL_NAME ${{ github.workspace }}/wheel_${{ matrix.pl_backend }}-${{ matrix.blas }}.whl
diff --git a/.github/workflows/tests_windows_cpp.yml b/.github/workflows/tests_windows_cpp.yml
index 1b2e7522a..a35d2f0a4 100644
--- a/.github/workflows/tests_windows_cpp.yml
+++ b/.github/workflows/tests_windows_cpp.yml
@@ -114,7 +114,7 @@ jobs:
           python-version: '3.9'
 
       - name: Checkout PennyLane-Lightning
-        uses: actions/checkout@v3
+        uses: actions/checkout@v4
 
       - name: Install dependencies
         run: |
diff --git a/.github/workflows/tests_without_binary.yml b/.github/workflows/tests_without_binary.yml
index eb2745e6c..64c059bc2 100644
--- a/.github/workflows/tests_without_binary.yml
+++ b/.github/workflows/tests_without_binary.yml
@@ -46,19 +46,16 @@ jobs:
         uses: actions/checkout@v4
         with:
           fetch-tags: true
-          path: main
 
       - name: Switch to release build of Lightning
         if: inputs.lightning-version == 'release'
         run: |
-          cd main
           git fetch --all
           git checkout $(git branch -a --list "origin/v0.*rc*" | sort | tail -1)
 
       - name: Switch to stable build of Lightning
         if: inputs.lightning-version == 'stable'
         run: |
-          cd main
           git fetch --tags --force
           git checkout latest_release
           git log -1 --format='%H'
@@ -72,7 +69,6 @@ jobs:
       - name: Get required Python packages
         run: |
           rm -fr $(python -m pip cache dir)/selfcheck/
-          cd main
           python -m pip install -r requirements-dev.txt
 
       - name: Checkout PennyLane for release build
@@ -93,39 +89,34 @@ jobs:
       - name: Install Stable PennyLane
         if: inputs.pennylane-version == 'stable'
         run: |
-          cd main
           python -m pip uninstall -y pennylane && python -m pip install -U pennylane
 
-      - name: Install the pennylane_lightning package
-        if: ${{ contains(fromJson('["lightning_kokkos", "lightning_gpu", "lightning_tensor"]'), matrix.pl_backend) }}
+      - name: Install the pennylane_lightning core package (lightning_qubit)
+        env:
+          SKIP_COMPILATION: True
+          PL_BACKEND: "lightning_qubit"
         run: |
-          cd main
-          SKIP_COMPILATION=True PL_BACKEND="lightning_qubit" python -m pip install . -vv
+          python scripts/configure_pyproject_toml.py
+          python -m pip install . -vv
 
-      - name: Install backend device
-        # FIXME: Remove this condition with v0.37.0 release
-        if: matrix.pl_backend != 'lightning_tensor' || inputs.lightning-version != 'stable'
+      - name: Install extra backend device
+        if: matrix.pl_backend != 'lightning_qubit'
         env:
           SKIP_COMPILATION: True
           PL_BACKEND: ${{ matrix.pl_backend }}
         run: |
-          cd main
+          python scripts/configure_pyproject_toml.py
           python -m pip install . -vv
 
       - name: Run PennyLane-Lightning unit tests for all backends
-        # FIXME: Remove this condition with v0.37.0 release
-        if: matrix.pl_backend != 'lightning_tensor' || inputs.lightning-version != 'stable'
         run: |
-          cd main/
           DEVICENAME=`echo ${{ matrix.pl_backend }} | sed "s/_/./g"`
           PL_DEVICE=${DEVICENAME} python -m pytest tests/ $COVERAGE_FLAGS
 
       - name: Upload coverage to Codecov
-        # FIXME: Remove this condition with v0.37.0 release
-        if: matrix.pl_backend != 'lightning_tensor' || inputs.lightning-version != 'stable'
         uses: codecov/codecov-action@v4
         with:
-          files: ./main/coverage.xml
+          files: coverage.xml
           fail_ci_if_error: true
           verbose: true
           token: ${{ secrets.CODECOV_TOKEN }}
diff --git a/.github/workflows/wheel_linux_aarch64.yml b/.github/workflows/wheel_linux_aarch64.yml
index ec090d9f7..906e1ffc4 100644
--- a/.github/workflows/wheel_linux_aarch64.yml
+++ b/.github/workflows/wheel_linux_aarch64.yml
@@ -119,8 +119,11 @@ jobs:
           mkdir Kokkos
           cp -rf ${{ github.workspace }}/Kokkos_install/${{ matrix.exec_model }}/* Kokkos/
 
-      - name: Install cibuildwheel
-        run: python -m pip install cibuildwheel~=2.16.0
+      - name: Install dependencies
+        run: python -m pip install cibuildwheel~=2.16.0 toml
+
+      - name: Configure pyproject.toml file
+        run: PL_BACKEND="${{ matrix.pl_backend }}" python scripts/configure_pyproject_toml.py
 
       - uses: docker/setup-qemu-action@v2
         name: Set up QEMU
@@ -138,7 +141,7 @@ jobs:
             cat /etc/yum.conf | sed "s/\[main\]/\[main\]\ntimeout=5/g" > /etc/yum.conf
             python -m pip install ninja cmake~=3.24.0
 
-          CIBW_ENVIRONMENT: PL_BACKEND="${{ matrix.pl_backend }}" CMAKE_ARGS="-DENABLE_LAPACK=OFF"
+          CIBW_ENVIRONMENT: CMAKE_ARGS="-DENABLE_LAPACK=OFF"
 
           CIBW_MANYLINUX_AARCH64_IMAGE: manylinux_2_28
 
@@ -146,7 +149,11 @@ jobs:
 
           CIBW_BEFORE_TEST: |
             python -m pip install -r requirements-tests.txt
-            if ${{ matrix.pl_backend == 'lightning_kokkos'}}; then SKIP_COMPILATION=True PL_BACKEND="lightning_qubit" python -m pip install . -vv; fi
+            if ${{ matrix.pl_backend == 'lightning_kokkos'}}
+            then
+              PL_BACKEND="lightning_qubit" python scripts/configure_pyproject_toml.py
+              SKIP_COMPILATION=True python -m pip install . -vv
+            fi
 
           CIBW_TEST_COMMAND: |
             DEVICENAME=`echo ${{ matrix.pl_backend }} | sed "s/_/./g"`
diff --git a/.github/workflows/wheel_linux_ppc64le.yml b/.github/workflows/wheel_linux_ppc64le.yml
index d305e5334..4fd172b22 100644
--- a/.github/workflows/wheel_linux_ppc64le.yml
+++ b/.github/workflows/wheel_linux_ppc64le.yml
@@ -118,12 +118,15 @@ jobs:
           mkdir Kokkos
           cp -rf ${{ github.workspace }}/Kokkos_install/${{ matrix.exec_model }}/* Kokkos/
 
-      - name: Install cibuildwheel
-        run: python -m pip install cibuildwheel~=2.16.0
+      - name: Install dependencies
+        run: python -m pip install cibuildwheel~=2.16.0 toml
 
       - uses: docker/setup-qemu-action@v2
         name: Set up QEMU
 
+      - name: Configure pyproject.toml file
+        run: PL_BACKEND="${{ matrix.pl_backend }}" python scripts/configure_pyproject_toml.py
+
       - name: Build wheels
         env:
           CIBW_ARCHS_LINUX: ${{matrix.arch}}
@@ -137,7 +140,7 @@ jobs:
             cat /etc/yum.conf | sed "s/\[main\]/\[main\]\ntimeout=5/g" > /etc/yum.conf
             python -m pip install ninja cmake~=3.24.0
 
-          CIBW_ENVIRONMENT: PL_BACKEND="${{ matrix.pl_backend }}" CMAKE_ARGS="-DENABLE_LAPACK=OFF"
+          CIBW_ENVIRONMENT: CMAKE_ARGS="-DENABLE_LAPACK=OFF"
 
           CIBW_MANYLINUX_PPC64LE_IMAGE: manylinux_2_28
 
diff --git a/.github/workflows/wheel_linux_x86_64.yml b/.github/workflows/wheel_linux_x86_64.yml
index f91ff34e8..1d078a3fa 100644
--- a/.github/workflows/wheel_linux_x86_64.yml
+++ b/.github/workflows/wheel_linux_x86_64.yml
@@ -53,7 +53,7 @@ jobs:
     steps:
       - name: Cache installation directories
         id: kokkos-cache
-        uses: actions/cache@v3
+        uses: actions/cache@v4
         with:
           path: /root/Kokkos_install/${{ matrix.exec_model }}
           key: ${{ matrix.container_img }}-kokkos${{ matrix.kokkos_version }}-${{ matrix.exec_model }}
@@ -115,13 +115,13 @@ jobs:
     steps:
       - name: Restoring cached dependencies
         id: kokkos-cache
-        uses: actions/cache@v3
+        uses: actions/cache@v4
         with:
           path: /root/Kokkos_install/${{ matrix.exec_model }}
           key: ${{ matrix.container_img }}-kokkos${{ matrix.kokkos_version }}-${{ matrix.exec_model }}
 
       - name: Checkout PennyLane-Lightning
-        uses: actions/checkout@v3
+        uses: actions/checkout@v4
 
       - name: Copy cached libraries
         if: steps.kokkos-cache.outputs.cache-hit == 'true'
@@ -134,8 +134,11 @@ jobs:
         run: |
           dnf update -y && dnf install -y podman
 
-      - name: Install cibuildwheel
-        run: python3.9 -m pip install cibuildwheel~=2.16.0
+      - name: Install dependencies
+        run: python3.9 -m pip install cibuildwheel~=2.16.0 toml
+
+      - name: Configure pyproject.toml file
+        run: PL_BACKEND="${{ matrix.pl_backend }}" python3.9 scripts/configure_pyproject_toml.py
 
       - name: Build wheels
         env:
@@ -156,13 +159,15 @@ jobs:
             source /opt/rh/gcc-toolset-13/enable -y
             PATH="/opt/rh/gcc-toolset-13/root/usr/bin:$PATH"
 
-          CIBW_ENVIRONMENT: |
-            PATH="/opt/rh/gcc-toolset-13/root/usr/bin:$PATH" \
-            PL_BACKEND="${{ matrix.pl_backend }}"
+          CIBW_ENVIRONMENT: PATH="/opt/rh/gcc-toolset-13/root/usr/bin:$PATH"
 
           CIBW_BEFORE_TEST: |
             python -m pip install -r requirements-tests.txt
-            if ${{ matrix.pl_backend == 'lightning_kokkos'}}; then SKIP_COMPILATION=True PL_BACKEND="lightning_qubit" python -m pip install . -vv; fi
+            if ${{ matrix.pl_backend == 'lightning_kokkos'}}
+            then
+              PL_BACKEND="lightning_qubit" python scripts/configure_pyproject_toml.py
+              SKIP_COMPILATION=True python -m pip install . -vv
+            fi
 
           CIBW_TEST_COMMAND: |
             DEVICENAME=`echo ${{ matrix.pl_backend }} | sed "s/_/./g"`
diff --git a/.github/workflows/wheel_linux_x86_64_cuda.yml b/.github/workflows/wheel_linux_x86_64_cuda.yml
index 6a5a7a42c..bdad1afa0 100644
--- a/.github/workflows/wheel_linux_x86_64_cuda.yml
+++ b/.github/workflows/wheel_linux_x86_64_cuda.yml
@@ -4,10 +4,6 @@ name: Wheel::Linux::x86_64::CUDA
 #                   Python versions: 3.9, 3.10, 3.11, 3.12.
 # **Why we have it**: To build wheels for pennylane-lightning-gpu installation.
 # **Who does it impact**: Wheels to be uploaded to PyPI.
-
-env:
-  GCC_VERSION: 12
-
 on:
   pull_request:
   push:
@@ -58,15 +54,18 @@ jobs:
 
     steps:
       - name: Checkout PennyLane-Lightning
-        uses: actions/checkout@v3
+        uses: actions/checkout@v4
 
       - name: Install dependencies (AlmaLinux)
         if: ${{ (matrix.container_img == 'quay.io/pypa/manylinux_2_28_x86_64') }}
         run: |
           dnf update -y && dnf install -y podman
 
-      - name: Install cibuildwheel
-        run: python3.9 -m pip install cibuildwheel~=2.16.0
+      - name: Install dependencies
+        run: python3.9 -m pip install cibuildwheel~=2.16.0 toml
+
+      - name: Configure pyproject.toml file
+        run: PL_BACKEND="${{ matrix.pl_backend }}" python3.9 scripts/configure_pyproject_toml.py
 
       - name: Build wheels
         env:
@@ -78,7 +77,7 @@ jobs:
 
           CIBW_SKIP: "*-musllinux*"
 
-          CIBW_CONFIG_SETTINGS: --global-option=build_ext --global-option=--define="CMAKE_CXX_COMPILER=$(which g++);CMAKE_C_COMPILER=$(which gcc);LIGHTNING_RELEASE_TAG=master"
+          CIBW_CONFIG_SETTINGS: --global-option=build_ext --global-option=--define="LIGHTNING_RELEASE_TAG=master"
 
           # Python build settings
           CIBW_BEFORE_BUILD: |
@@ -93,7 +92,6 @@ jobs:
           CIBW_ENVIRONMENT: |
             PATH=/opt/rh/gcc-toolset-12/root/usr/bin:$PATH:/usr/local/cuda-${{ matrix.cuda_version }}/bin \
             LD_LIBRARY_PATH=/opt/rh/gcc-toolset-12/root/usr/lib64:/opt/rh/gcc-toolset-12/root/usr/lib:/opt/rh/gcc-toolset-12/root/usr/lib64/dyninst:/opt/rh/gcc-toolset-12/root/usr/lib/dyninst:$LD_LIBRARY_PATH:/usr/local/cuda-${{ matrix.cuda_version }}/lib64 \
-            PL_BACKEND="${{ matrix.pl_backend }}" \
             PKG_CONFIG_PATH=/opt/rh/gcc-toolset-12/root/usr/lib64/pkgconfig:$PKG_CONFIG_PATH
 
           CIBW_REPAIR_WHEEL_COMMAND_LINUX: "./bin/auditwheel repair -w {dest_dir} {wheel}"
@@ -148,4 +146,4 @@ jobs:
         with:
           user: __token__
           password: ${{ secrets.TEST_PYPI_LGPU_TOKEN }}
-          repository_url: https://test.pypi.org/legacy/
+          repository-url: https://test.pypi.org/legacy/
diff --git a/.github/workflows/wheel_macos_arm64.yml b/.github/workflows/wheel_macos_arm64.yml
index 5b1b20d3d..6ea238abf 100644
--- a/.github/workflows/wheel_macos_arm64.yml
+++ b/.github/workflows/wheel_macos_arm64.yml
@@ -75,8 +75,11 @@ jobs:
         with:
           python-version: '3.9'
 
-      - name: Install cibuildwheel
-        run: python -m pip install cibuildwheel~=2.16.0
+      - name: Install dependencies
+        run: python -m pip install cibuildwheel~=2.16.0 toml
+
+      - name: Configure pyproject.toml file
+        run: PL_BACKEND="${{ matrix.pl_backend }}" python scripts/configure_pyproject_toml.py
 
       - name: Build wheels
         env:
@@ -91,13 +94,15 @@ jobs:
             python -m pip install pybind11 ninja cmake~=3.24.0 setuptools scipy
 
           CIBW_ENVIRONMENT: |
-            CMAKE_ARGS="-DCMAKE_CXX_COMPILER_TARGET=arm64-apple-macos11 -DCMAKE_SYSTEM_NAME=Darwin -DCMAKE_SYSTEM_PROCESSOR=ARM64 -DENABLE_OPENMP=OFF" \
-            PL_BACKEND="${{ matrix.pl_backend }}"
+            CMAKE_ARGS="-DCMAKE_CXX_COMPILER_TARGET=arm64-apple-macos11 -DCMAKE_SYSTEM_NAME=Darwin -DCMAKE_SYSTEM_PROCESSOR=ARM64 -DENABLE_OPENMP=OFF"
 
           CIBW_BEFORE_TEST: |
             python -m pip install -r requirements-tests.txt
-            if ${{ matrix.pl_backend == 'lightning_kokkos'}}; then SKIP_COMPILATION=True PL_BACKEND="lightning_qubit" python -m pip install . -vv; fi
-
+            if ${{ matrix.pl_backend == 'lightning_kokkos'}}
+            then
+              PL_BACKEND="lightning_qubit" python scripts/configure_pyproject_toml.py
+              SKIP_COMPILATION=True python -m pip install . -vv
+            fi
           CIBW_TEST_COMMAND: |
             DEVICENAME=`echo ${{ matrix.pl_backend }} | sed "s/_/./g"`
             pl-device-test --device=${DEVICENAME} --skip-ops -x --tb=short --no-flaky-report
diff --git a/.github/workflows/wheel_macos_x86_64.yml b/.github/workflows/wheel_macos_x86_64.yml
index f3aa0d900..58c318b79 100644
--- a/.github/workflows/wheel_macos_x86_64.yml
+++ b/.github/workflows/wheel_macos_x86_64.yml
@@ -124,8 +124,11 @@ jobs:
         with:
           python-version: '3.9'
 
-      - name: Install cibuildwheel
-        run: python -m pip install cibuildwheel~=2.16.0
+      - name: Install dependencies
+        run: python -m pip install cibuildwheel~=2.16.0 toml
+
+      - name: Configure pyproject.toml file
+        run: PL_BACKEND="${{ matrix.pl_backend }}" python scripts/configure_pyproject_toml.py
 
       - name: Build wheels
         env:
@@ -144,7 +147,11 @@ jobs:
 
           CIBW_BEFORE_TEST: |
             python -m pip install -r requirements-tests.txt
-            if ${{ matrix.pl_backend == 'lightning_kokkos'}}; then SKIP_COMPILATION=True PL_BACKEND="lightning_qubit" python -m pip install . -vv; fi
+            if ${{ matrix.pl_backend == 'lightning_kokkos'}}
+            then
+              PL_BACKEND="lightning_qubit" python scripts/configure_pyproject_toml.py
+              SKIP_COMPILATION=True python -m pip install . -vv
+            fi
 
           CIBW_TEST_COMMAND: |
             DEVICENAME=`echo ${{ matrix.pl_backend }} | sed "s/_/./g"`
diff --git a/.github/workflows/wheel_noarch.yml b/.github/workflows/wheel_noarch.yml
index 55c62b028..d25cc78ff 100644
--- a/.github/workflows/wheel_noarch.yml
+++ b/.github/workflows/wheel_noarch.yml
@@ -41,36 +41,42 @@ jobs:
 
     steps:
       - name: Checkout PennyLane-Lightning
+        if: ${{ matrix.pl_backend == 'lightning_qubit'}}
         uses: actions/checkout@v4
-        with:
-          path: main
+
 
       - uses: actions/setup-python@v5
+        if: ${{ matrix.pl_backend == 'lightning_qubit'}}
         with:
           python-version: '3.9'
 
       - name: Upgrade pip
+        if: ${{ matrix.pl_backend == 'lightning_qubit'}}
         run: |
           python -m pip install --upgrade pip
 
-      - name: Install CMake and ninja
+      - name: Install dependencies
+        if: ${{ matrix.pl_backend == 'lightning_qubit'}}
         run: |
-          python -m pip install --upgrade cmake ninja
+          python -m pip install toml
 
-      - name: Build wheels
+      - name: Configure pyproject.toml file
+        if: ${{ matrix.pl_backend == 'lightning_qubit'}}
+        run: PL_BACKEND="${{ matrix.pl_backend }}" python scripts/configure_pyproject_toml.py
+
+      - name: Build wheels and source dist
         if: ${{ matrix.pl_backend == 'lightning_qubit'}}
-        run: |
-          python -m pip install --upgrade pip wheel
-          cd main
-          PL_BACKEND="${{ matrix.pl_backend }}" python setup.py bdist_wheel
         env:
           SKIP_COMPILATION: True
+        run: |
+          python -m pip install --upgrade pip wheel build
+          python -m build
 
       - name: Validate wheels
         if: ${{ matrix.pl_backend == 'lightning_qubit'}}
         run: |
           python -m pip install twine
-          python -m twine check main/dist/*.whl
+          python -m twine check dist/*.whl
 
       - uses: actions/upload-artifact@v3
         if: |
@@ -78,22 +84,13 @@ jobs:
           (github.event_name == 'release' || github.event_name == 'workflow_dispatch' || github.ref == 'refs/heads/master')
         with:
           name: pure-python-wheels-${{ matrix.pl_backend }}.zip
-          path: main/dist/*.whl
-
-      - name: Build source dist
-        if: ${{ matrix.pl_backend != 'lightning_qubit'}}
-        run: |
-          python -m pip install --upgrade pip wheel
-          cd main
-          PL_BACKEND="${{ matrix.pl_backend }}" python setup.py sdist
-        env:
-          SKIP_COMPILATION: True
+          path: dist/*.whl
 
       - uses: actions/upload-artifact@v3
         if: ${{ matrix.pl_backend != 'lightning_qubit' && (github.event_name == 'release' || github.ref == 'refs/heads/master') }}
         with:
           name: pure-source-dist-${{ matrix.pl_backend }}.tar.gz
-          path: main/dist/*.tar.gz
+          path: dist/*.tar.gz
 
   upload-pypi:
     needs: build-pure-python-wheel
@@ -101,12 +98,10 @@ jobs:
       matrix:
         pl_backend: ["lightning_gpu", "lightning_kokkos", "lightning_qubit"]
     runs-on: ubuntu-latest
-    if: |
-      matrix.pl_backend == 'lightning_qubit' &&
-      github.event_name == 'release'
 
     steps:
       - uses: actions/download-artifact@v3
+        if: ${{ matrix.pl_backend == 'lightning_qubit' && github.event_name == 'release' }}
         with:
           name: pure-python-wheels-${{ matrix.pl_backend }}.zip
           path: dist
diff --git a/.github/workflows/wheel_win_x86_64.yml b/.github/workflows/wheel_win_x86_64.yml
index ca5b6a3b7..16c44b409 100644
--- a/.github/workflows/wheel_win_x86_64.yml
+++ b/.github/workflows/wheel_win_x86_64.yml
@@ -113,8 +113,13 @@ jobs:
           Copy-Item -Path "D:\a\install_dir\${{ matrix.exec_model }}\" `
                     -Destination "D:\a\pennylane-lightning\pennylane-lightning\Kokkos" -Recurse -Force
 
-      - name: Install cibuildwheel
-        run: python -m pip install cibuildwheel~=2.16.0 wheel
+      - name: Install dependencies
+        run: python -m pip install cibuildwheel~=2.16.0 wheel toml
+
+      - name: Configure pyproject.toml file
+        env:
+          PL_BACKEND: "${{ matrix.pl_backend }}"
+        run:  python scripts/configure_pyproject_toml.py
 
       - name: Build wheels
         env:
@@ -128,7 +133,6 @@ jobs:
 
           CIBW_ENVIRONMENT: |
             CMAKE_ARGS="-DENABLE_LAPACK=OFF"
-            PL_BACKEND="${{ matrix.pl_backend }}"
 
           CIBW_MANYLINUX_X86_64_IMAGE: manylinux2014
 
@@ -173,7 +177,8 @@ jobs:
           python -m pip install setuptools
           python -m pip install -r requirements-tests.txt
           if (${{ matrix.pl_backend == 'lightning_kokkos'}}) {
-            SKIP_COMPILATION=True PL_BACKEND="lightning_qubit" python -m pip install . -vv
+            PL_BACKEND="lightning_qubit" python scripts/configure_pyproject_toml.py
+            SKIP_COMPILATION=True python -m pip install . -vv
           }
           pushd wheelhouse
           $wheels = Get-ChildItem "./" -Filter *.whl
diff --git a/.gitignore b/.gitignore
index 0f80526ee..8e422d276 100644
--- a/.gitignore
+++ b/.gitignore
@@ -34,3 +34,4 @@ PennyLane_Lightning.egg-info/
 prototypes/
 tests/__pycache__/
 venv/
+wheelhouse/
\ No newline at end of file
diff --git a/.readthedocs.yml b/.readthedocs.yml
index fd7c32576..af5eb2cd2 100644
--- a/.readthedocs.yml
+++ b/.readthedocs.yml
@@ -26,9 +26,9 @@ build:
     pre_install:
       - wget https://developer.download.nvidia.com/compute/cuda/12.3.2/local_installers/cuda_12.3.2_545.23.08_linux.run
       - sh cuda_12.3.2_545.23.08_linux.run --silent --toolkit --toolkitpath=${READTHEDOCS_VIRTUALENV_PATH}/cuda-12.3 || cat /tmp/cuda-installer.log
-      - echo "setuptools~=66.0\npip~=22.0" >> ci_build_requirements.txt
-    post_install: 
-      - rm -rf ./build && export PATH=${READTHEDOCS_VIRTUALENV_PATH}/cuda-12.3/bin${PATH:+:${PATH}} && export LD_LIBRARY_PATH=${READTHEDOCS_VIRTUALENV_PATH}/cuda-12.3/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}} && PL_BACKEND="lightning_gpu" python setup.py build_ext --define="PL_DISABLE_CUDA_SAFETY=1" && PL_BACKEND="lightning_gpu" python setup.py bdist_wheel
-      - rm -rf ./build && PL_BACKEND="lightning_kokkos" python setup.py bdist_wheel
-      - rm -rf ./build && export PATH=${READTHEDOCS_VIRTUALENV_PATH}/cuda-12.3/bin${PATH:+:${PATH}} && export LD_LIBRARY_PATH=${READTHEDOCS_VIRTUALENV_PATH}/cuda-12.3/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}} && PL_BACKEND="lightning_tensor" python setup.py build_ext --define="PL_DISABLE_CUDA_SAFETY=1" && PL_BACKEND="lightning_tensor" python setup.py bdist_wheel
+      - echo "setuptools~=66.0" >> ci_build_requirements.txt
+    post_install:
+      - rm -rf ./build && export PATH=${READTHEDOCS_VIRTUALENV_PATH}/cuda-12.3/bin${PATH:+:${PATH}} && export LD_LIBRARY_PATH=${READTHEDOCS_VIRTUALENV_PATH}/cuda-12.3/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}} && PL_BACKEND="lightning_gpu" python scripts/configure_pyproject_toml.py && CMAKE_ARGS="-DPL_DISABLE_CUDA_SAFETY=1" python -m build
+      - rm -rf ./build && PL_BACKEND="lightning_kokkos" python scripts/configure_pyproject_toml.py && python -m build
+      - rm -rf ./build && export PATH=${READTHEDOCS_VIRTUALENV_PATH}/cuda-12.3/bin${PATH:+:${PATH}} && export LD_LIBRARY_PATH=${READTHEDOCS_VIRTUALENV_PATH}/cuda-12.3/lib64${LD_LIBRARY_PATH:+:${LD_LIBRARY_PATH}} && PL_BACKEND="lightning_tensor" python scripts/configure_pyproject_toml.py && CMAKE_ARGS="-DPL_DISABLE_CUDA_SAFETY=1" python -m build
       - python -m pip install ./dist/*.whl
diff --git a/CMakeLists.txt b/CMakeLists.txt
index a7e50f900..d53f2d75c 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -20,16 +20,16 @@ project(pennylane_lightning
 function(set_pennylane_lightning_version VERSION_FILE_PATH)
     file(STRINGS ${VERSION_FILE_PATH} VERSION_FILE_STR)
     foreach (LINE IN LISTS VERSION_FILE_STR)
-    if("${LINE}" MATCHES "__version__.*")
+    if("${LINE}" MATCHES "version.*")
         set(VERSION_LINE_STR "${LINE}")
     endif()
     endforeach()
 
-    string(REGEX REPLACE "__version__ = \"(.*)\"" "\\1" VERSION_STRING ${VERSION_LINE_STR})
+    string(REGEX REPLACE "version = \"(.*)\"" "\\1" VERSION_STRING ${VERSION_LINE_STR})
     set(VERSION_STRING ${VERSION_STRING} PARENT_SCOPE)
 endfunction()
 
-set_pennylane_lightning_version(${PROJECT_SOURCE_DIR}/pennylane_lightning/core/_version.py)
+set_pennylane_lightning_version(${PROJECT_SOURCE_DIR}/pyproject.toml)
 
 message(STATUS "pennylane_lightning version ${VERSION_STRING}")
 set(PROJECT_VERSION ${VERSION_STRING})
@@ -146,7 +146,7 @@ foreach(BACKEND ${PL_BACKEND})
                                                         "${BACKEND}_measurements"
                                                         )
 endforeach()
-                                                
+
 target_include_directories(pennylane_lightning  INTERFACE "$<INSTALL_INTERFACE:${PROJECT_SOURCE_DIR}/pennylane_lightning/core/src;include>")
 
 #####################################################
diff --git a/MANIFEST.in b/MANIFEST.in
index db5d3a35b..4c1a79b51 100644
--- a/MANIFEST.in
+++ b/MANIFEST.in
@@ -1,5 +1,9 @@
+include CMakeLists.txt
+include cmake/*
 include requirements.txt
 include .github/CHANGELOG.md
 include pennylane_lightning/lightning_qubit/lightning_qubit.toml
 include pennylane_lightning/lightning_qpu/lightning_gpu.toml
 include pennylane_lightning/lightning_kokkos/lightning_kokkos.toml
+include pennylane_lightning/core/_version.py
+graft pennylane_lightning/core/src/
diff --git a/Makefile b/Makefile
index 0456de834..8b673ed71 100644
--- a/Makefile
+++ b/Makefile
@@ -37,6 +37,8 @@ help:
 	@echo "  test-cpp [target=?]      to run a specific C++ test target (requires CMake)."
 	@echo "  test-python [device=?]   to run the Python test suite"
 	@echo "                           Default: lightning.qubit"
+	@echo "  wheel [backend=?]        to configure and build Python wheels
+	@echo "                           Default: lightning_qubit"
 	@echo "  coverage [device=?]      to generate a coverage report for python interface"
 	@echo "                           Default: lightning.qubit"
 	@echo "  coverage-cpp [backend=?] to generate a coverage report for C++ interface"
@@ -61,6 +63,11 @@ clean:
 	rm -rf pennylane_lightning/*_ops*
 	rm -rf *.egg-info
 
+.PHONY: wheel
+wheel:
+	PL_BACKEND=$(PL_BACKEND) python scripts/configure_pyproject_toml.py
+	python -m build
+
 .PHONY: coverage coverage-cpp
 coverage:
 	@echo "Generating coverage report for $(if $(device:-=),$(device),lightning.qubit) device:"
@@ -77,9 +84,9 @@ coverage-cpp:
 		  -DENABLE_COVERAGE=ON \
 		  -DPL_BACKEND=$(PL_BACKEND) \
 		  $(OPTIONS)
-	cmake --build ./BuildCov
+	cmake --build ./BuildCov $(VERBOSE) --target $(target)
 	cd ./BuildCov; for file in *runner ; do ./$file; done; \
-	lcov --directory . -b ../pennylane_lightning/core/src --capture --output-file coverage.info; \
+	lcov --directory . -b ../pennylane_lightning/core/src/ --capture --output-file coverage.info; \
 	genhtml coverage.info --output-directory out
 
 .PHONY: test-python test-builtin test-suite test-cpp
@@ -115,8 +122,8 @@ format-cpp:
 	./bin/format $(CHECK) ./pennylane_lightning
 
 format-python:
-	isort --py 311 --profile black -l 100 -p pennylane_lightning ./pennylane_lightning/ ./mpitests ./tests $(ICHECK) $(VERBOSE)
-	black -l 100 ./pennylane_lightning/ ./mpitests ./tests $(CHECK) $(VERBOSE)
+	isort --py 311 --profile black -l 100 -p pennylane_lightning ./pennylane_lightning ./mpitests ./tests ./scripts $(ICHECK) $(VERBOSE)
+	black -l 100 ./pennylane_lightning ./mpitests ./tests ./scripts $(CHECK) $(VERBOSE)
 
 .PHONY: check-tidy
 check-tidy:
diff --git a/README.rst b/README.rst
index 3f9b6b19f..518bd9419 100644
--- a/README.rst
+++ b/README.rst
@@ -135,10 +135,11 @@ For development and testing, you can install by cloning the repository:
     $ git clone https://github.com/PennyLaneAI/pennylane-lightning.git
     $ cd pennylane-lightning
     $ pip install -r requirements.txt
-    $ PL_BACKEND=${PL_BACKEND} pip install -e . -vv
+    $ PL_BACKEND=${PL_BACKEND} python scripts/configure_pyproject_toml.py
+    $ pip install -e . -vv
 
 Note that subsequent calls to ``pip install -e .`` will use cached binaries stored in the
-``build`` folder. Run ``make clean`` if you would like to recompile from scratch.
+``build`` folder, and the ``pyproject.toml`` file defined by the configuration script. Run ``make clean`` if you would like to recompile from scratch.
 
 You can also pass ``cmake`` options with ``CMAKE_ARGS`` as follows:
 
@@ -146,15 +147,6 @@ You can also pass ``cmake`` options with ``CMAKE_ARGS`` as follows:
 
     $ CMAKE_ARGS="-DENABLE_OPENMP=OFF -DENABLE_BLAS=OFF" pip install -e . -vv
 
-or with ``build_ext`` and the ``--define`` flag as follows:
-
-.. code-block:: console
-
-    $ python3 setup.py build_ext -i --define="ENABLE_OPENMP=OFF;ENABLE_BLAS=OFF"
-    $ python3 setup.py develop
-
-where ``-D`` must not be included before ``;``-separated options.
-
 Compile MSVC (Windows)
 ======================
 
@@ -235,27 +227,28 @@ Please see the `cuQuantum SDK`_ install guide for more information.
 Install Lightning-GPU from source
 =================================
 
-To install Lightning-GPU from the package sources using the direct SDK path, Lightning-Qubit should be install before Lightning-GPU:
+To install Lightning-GPU from the package sources using the direct SDK path, Lightning-Qubit should be installed (compilation is not necessary):
 
 .. code-block:: console
 
     git clone https://github.com/PennyLaneAI/pennylane-lightning.git
     cd pennylane-lightning
     pip install -r requirements.txt
-    PL_BACKEND="lightning_qubit" pip install -e . -vv
+    PL_BACKEND="lightning_qubit" python scripts/configure_pyproject_toml.py
+    SKIP_COMPILATION=True pip install -e . -vv
 
 Then the `cuStateVec`_ library can be installed and set a ``CUQUANTUM_SDK`` environment variable.
 
 .. code-block:: console
 
-    python -m pip install wheel custatevec-cu12
     export CUQUANTUM_SDK=$(python -c "import site; print( f'{site.getsitepackages()[0]}/cuquantum')")
 
 The Lightning-GPU can then be installed with ``pip``:
 
 .. code-block:: console
 
-    PL_BACKEND="lightning_gpu" python -m pip install -e .
+    PL_BACKEND="lightning_gpu" python scripts/configure_pyproject_toml.py
+    python -m pip install -e .
 
 To simplify the build, we recommend using the containerized build process described in Docker support section.
 
@@ -275,7 +268,8 @@ Then Lightning-GPU with MPI support can then be installed with ``pip``:
 
 .. code-block:: console
 
-    CMAKE_ARGS="-DENABLE_MPI=ON"  PL_BACKEND="lightning_gpu" python -m pip install -e .
+    PL_BACKEND="lightning_gpu" python scripts/configure_pyproject_toml.py
+    CMAKE_ARGS="-DENABLE_MPI=ON" python -m pip install -e .
 
 
 Test Lightning-GPU with MPI
@@ -343,7 +337,8 @@ The simplest way to install Lightning-Kokkos (OpenMP backend) through ``pip``.
 
 .. code-block:: console
 
-   CMAKE_ARGS="-DKokkos_ENABLE_OPENMP=ON" PL_BACKEND="lightning_kokkos" python -m pip install .
+   PL_BACKEND="lightning_kokkos" python scripts/configure_pyproject_toml.py
+   CMAKE_ARGS="-DKokkos_ENABLE_OPENMP=ON" python -m pip install .
 
 To build the plugin directly with CMake as above:
 
@@ -372,27 +367,28 @@ Please see the `cuQuantum SDK <https://developer.nvidia.com/cuquantum-sdk>`_ ins
 
 Install Lightning-Tensor from source
 ====================================
-Lightning-Qubit should be installed before Lightning-Tensor:
+Lightning-Qubit should be installed before Lightning-Tensor (compilation is not necessary):
 
 .. code-block:: console
 
     git clone https://github.com/PennyLaneAI/pennylane-lightning.git
     cd pennylane-lightning
     pip install -r requirements.txt
-    PL_BACKEND="lightning_qubit" pip install .
+    PL_BACKEND="lightning_qubit" python scripts/configure_pyproject_toml.py
+    SKIP_COMPILATION=True pip install .
 
-Then the `cutensornet`_ library can be installed and set a ``CUQUANTUM_SDK`` environment variable. 
+Then the `cutensornet`_ library can be installed and set a ``CUQUANTUM_SDK`` environment variable.
 
 .. code-block:: console
 
-    pip install cutensornet-cu12
     export CUQUANTUM_SDK=$(python -c "import site; print( f'{site.getsitepackages()[0]}/cuquantum')")
 
 The Lightning-Tensor can then be installed with ``pip``:
 
 .. code-block:: console
 
-    PL_BACKEND="lightning_tensor" pip install -e .
+    PL_BACKEND="lightning_tensor" python scripts/configure_pyproject_toml.py
+    pip install -e .
 
 .. installation_LTensor-end-inclusion-marker-do-not-remove
 
@@ -458,13 +454,13 @@ If you are using Lightning for research, please cite:
 
     @misc{
         asadi2024,
-        title={{Hybrid quantum programming with PennyLane Lightning on HPC platforms}}, 
+        title={{Hybrid quantum programming with PennyLane Lightning on HPC platforms}},
         author={Ali Asadi and Amintor Dusko and Chae-Yeun Park and Vincent Michaud-Rioux and Isidor Schoch and Shuli Shu and Trevor Vincent and Lee James O'Riordan},
         year={2024},
         eprint={2403.02512},
         archivePrefix={arXiv},
         primaryClass={quant-ph},
-        url={https://arxiv.org/abs/2403.02512}, 
+        url={https://arxiv.org/abs/2403.02512},
     }
 
 .. citation-end-inclusion-marker-do-not-remove
diff --git a/docker/Dockerfile b/docker/Dockerfile
index cff4ffdf5..cc38d8506 100644
--- a/docker/Dockerfile
+++ b/docker/Dockerfile
@@ -79,8 +79,8 @@ RUN pip install --no-cache-dir cmake ninja pybind11 wheel
 FROM base-build-python AS build-wheel-lightning-qubit
 WORKDIR /opt/pennylane-lightning
 RUN pip uninstall -y pennylane-lightning
-RUN python setup.py build_ext
-RUN python setup.py bdist_wheel
+RUN python scripts/configure_pyproject_toml.py
+RUN python -m build
 
 # Install lightning-qubit backend
 FROM base-runtime AS wheel-lightning-qubit
@@ -93,8 +93,8 @@ FROM base-build-python AS build-wheel-lightning-kokkos-openmp
 WORKDIR /opt/pennylane-lightning
 ENV PL_BACKEND=lightning_kokkos
 RUN pip uninstall -y pennylane-lightning
-RUN python setup.py build_ext -i --define="Kokkos_ENABLE_SERIAL:BOOL=ON;Kokkos_ENABLE_OPENMP:BOOL=ON"
-RUN python setup.py bdist_wheel
+RUN python scripts/configure_pyproject_toml.py
+RUN CMAKE_ARGS="-DKokkos_ENABLE_SERIAL:BOOL=ON -DKokkos_ENABLE_OPENMP:BOOL=ON" python -m build
 
 # Install lightning-kokkos OpenMP backend
 FROM base-runtime AS wheel-lightning-kokkos-openmp
@@ -118,8 +118,8 @@ WORKDIR /opt/pennylane-lightning
 ENV PL_BACKEND=lightning_kokkos
 RUN pip uninstall -y pennylane-lightning
 RUN echo >> cmake/support_kokkos.cmake && echo "find_package(CUDAToolkit REQUIRED)" >> cmake/support_kokkos.cmake
-RUN python setup.py build_ext -i --define="Kokkos_ENABLE_SERIAL:BOOL=ON;Kokkos_ENABLE_OPENMP:BOOL=ON;Kokkos_ENABLE_CUDA:BOOL=ON;Kokkos_ARCH_${CUDA_ARCH}=ON"
-RUN python setup.py bdist_wheel
+RUN python scripts/configure_pyproject_toml.py
+RUN CMAKE_ARGS="-DKokkos_ENABLE_SERIAL:BOOL=ON -DKokkos_ENABLE_OPENMP:BOOL=ON -DKokkos_ENABLE_CUDA:BOOL=ON -DKokkos_ARCH_${CUDA_ARCH}=ON" python -m build
 
 # Install python3 and setup runtime virtual env in CUDA-12-runtime image (includes CUDA runtime and math libraries)
 # Install lightning-kokkos CUDA backend
@@ -148,8 +148,9 @@ WORKDIR /opt/pennylane-lightning
 ENV PL_BACKEND=lightning_gpu
 RUN pip install --no-cache-dir wheel custatevec-cu12
 RUN pip uninstall -y pennylane-lightning
-RUN CUQUANTUM_SDK=$(python -c "import site; print( f'{site.getsitepackages()[0]}/cuquantum/lib')") python setup.py build_ext
-RUN python setup.py bdist_wheel
+RUN python scripts/configure_pyproject_toml.py
+RUN CUQUANTUM_SDK=$(python -c "import site; print( f'{site.getsitepackages()[0]}/cuquantum/lib')") python -m build
+
 
 # Install python3 and setup runtime virtual env in CUDA-12-runtime image (includes CUDA runtime and math libraries)
 # Install lightning-kokkos CUDA backend
@@ -192,8 +193,8 @@ ENV CMAKE_PREFIX_PATH=/opt/rocm:$CMAKE_PREFIX_PATH
 ENV CXX=hipcc
 ENV PL_BACKEND=lightning_kokkos
 RUN pip uninstall -y pennylane-lightning
-RUN python setup.py build_ext -i --define="Kokkos_ENABLE_SERIAL:BOOL=ON;Kokkos_ENABLE_OPENMP:BOOL=ON;Kokkos_ENABLE_HIP:BOOL=ON;Kokkos_ARCH_${AMD_ARCH}=ON"
-RUN python setup.py bdist_wheel
+RUN python scripts/configure_pyproject_toml.py
+RUN CMAKE_ARGS="-DKokkos_ENABLE_SERIAL:BOOL=ON -DKokkos_ENABLE_OPENMP:BOOL=ON -DKokkos_ENABLE_HIP:BOOL=ON -DKokkos_ARCH_${AMD_ARCH}=ON" python -m build
 
 # Install lightning-kokkos HIP backend
 FROM rocm/dev-ubuntu-22.04:5.7 AS wheel-lightning-kokkos-rocm
diff --git a/pennylane_lightning/core/__init__.py b/pennylane_lightning/core/__init__.py
index d3a37803e..30e036e21 100644
--- a/pennylane_lightning/core/__init__.py
+++ b/pennylane_lightning/core/__init__.py
@@ -1,4 +1,4 @@
-# Copyright 2018-2023 Xanadu Quantum Technologies Inc.
+# Copyright 2018-2024 Xanadu Quantum Technologies Inc.
 
 # Licensed under the Apache License, Version 2.0 (the "License");
 # you may not use this file except in compliance with the License.
diff --git a/pennylane_lightning/core/_version.py b/pennylane_lightning/core/_version.py
index 68d119cc2..2075a97a5 100644
--- a/pennylane_lightning/core/_version.py
+++ b/pennylane_lightning/core/_version.py
@@ -16,4 +16,4 @@
    Version number (major.minor.patch[-label])
 """
 
-__version__ = "0.38.0-dev29"
+__version__ = "0.38.0-dev30"
diff --git a/pennylane_lightning/lightning_gpu/__init__.py b/pennylane_lightning/lightning_gpu/__init__.py
index e88765aa2..90238ba79 100644
--- a/pennylane_lightning/lightning_gpu/__init__.py
+++ b/pennylane_lightning/lightning_gpu/__init__.py
@@ -1,4 +1,4 @@
-# Copyright 2018-2023 Xanadu Quantum Technologies Inc.
+# Copyright 2018-2024 Xanadu Quantum Technologies Inc.
 
 # Licensed under the Apache License, Version 2.0 (the "License");
 # you may not use this file except in compliance with the License.
diff --git a/pennylane_lightning/lightning_kokkos/__init__.py b/pennylane_lightning/lightning_kokkos/__init__.py
index 7b1045d54..8720ed020 100644
--- a/pennylane_lightning/lightning_kokkos/__init__.py
+++ b/pennylane_lightning/lightning_kokkos/__init__.py
@@ -1,4 +1,4 @@
-# Copyright 2018-2023 Xanadu Quantum Technologies Inc.
+# Copyright 2018-2024 Xanadu Quantum Technologies Inc.
 
 # Licensed under the Apache License, Version 2.0 (the "License");
 # you may not use this file except in compliance with the License.
diff --git a/pennylane_lightning/lightning_qubit/__init__.py b/pennylane_lightning/lightning_qubit/__init__.py
index a1b792afd..12901a739 100644
--- a/pennylane_lightning/lightning_qubit/__init__.py
+++ b/pennylane_lightning/lightning_qubit/__init__.py
@@ -1,4 +1,4 @@
-# Copyright 2018-2023 Xanadu Quantum Technologies Inc.
+# Copyright 2018-2024 Xanadu Quantum Technologies Inc.
 
 # Licensed under the Apache License, Version 2.0 (the "License");
 # you may not use this file except in compliance with the License.
diff --git a/pyproject.toml b/pyproject.toml
new file mode 100644
index 000000000..b50ac438d
--- /dev/null
+++ b/pyproject.toml
@@ -0,0 +1,28 @@
+[build-system]
+requires = [ "cmake~=3.24.0", "ninja; platform_system!='Windows'", "setuptools>=42", "toml",]
+build-backend = "setuptools.build_meta"
+
+[project]
+name = "PennyLane_Lightning"
+description = "PennyLane-Lightning plugin"
+readme = "README.rst"
+requires-python = ">=3.9"
+classifiers = [ "Development Status :: 4 - Beta", "Environment :: Console", "Intended Audience :: Science/Research", "License :: OSI Approved :: Apache Software License", "Natural Language :: English", "Operating System :: MacOS :: MacOS X", "Operating System :: Microsoft :: Windows", "Operating System :: POSIX", "Operating System :: POSIX :: Linux", "Programming Language :: Python", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3 :: Only", "Programming Language :: Python :: 3.9", "Programming Language :: Python :: 3.10", "Programming Language :: Python :: 3.11", "Programming Language :: Python :: 3.12", "Topic :: Scientific/Engineering :: Physics",]
+dependencies = [ "pennylane>=0.37",]
+dynamic = [ "version",]
+[[project.maintainers]]
+name = "Xanadu Quantum Technologies Inc."
+email = "software@xanadu.ai"
+
+[project.license]
+text = "Apache License 2.0"
+
+[project.optional-dependencies]
+gpu = [ "pennylane-lightning-gpu",]
+kokkos = [ "pennylane-lightning-kokkos",]
+
+[project.urls]
+Homepage = "https://github.com/PennyLaneAI/pennylane-lightning"
+
+[project.entry-points."pennylane.plugins"]
+"lightning.qubit" = "pennylane_lightning.lightning_qubit:LightningQubit"
diff --git a/requirements-dev.txt b/requirements-dev.txt
index 80268897c..34e788461 100644
--- a/requirements-dev.txt
+++ b/requirements-dev.txt
@@ -1,5 +1,5 @@
-pip~=22.0
 git+https://github.com/PennyLaneAI/pennylane.git@master
+build
 ninja
 flaky
 pybind11
diff --git a/scripts/backend_support.py b/scripts/backend_support.py
new file mode 100755
index 000000000..9f6cd3897
--- /dev/null
+++ b/scripts/backend_support.py
@@ -0,0 +1,56 @@
+# Copyright 2024 Xanadu Quantum Technologies Inc.
+
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+
+#     http://www.apache.org/licenses/LICENSE-2.0
+
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+r"""
+Internal logic to check and set backend variables.
+"""
+import os
+
+default_backend = "lightning_qubit"
+supported_backends = {"lightning_kokkos", "lightning_qubit", "lightning_gpu", "lightning_tensor"}
+supported_backends.update({sb.replace("_", ".") for sb in supported_backends})
+
+
+def get_backend():
+    """Return backend.
+
+    The backend is ``lightning_qubit`` by default.
+    Allowed values are: "lightning_kokkos", "lightning_qubit", "lightning_gpu" and "lightning_tensor".
+    A dot can also be used instead of an underscore.
+    If the environment variable ``PL_BACKEND`` is defined, its value is used.
+    Otherwise, if the environment variable ``CMAKE_ARGS`` is defined and it
+    contains the CMake option ``PL_BACKEND``, its value is used.
+    Dots are replaced by underscores upon exiting.
+    """
+    _backend = None
+    if "PL_BACKEND" in os.environ:
+        _backend = os.environ.get("PL_BACKEND", default_backend)
+        _backend = _backend.replace(".", "_")
+    if "CMAKE_ARGS" in os.environ:
+        cmake_args = os.environ["CMAKE_ARGS"].split(" ")
+        arg = [x for x in cmake_args if "PL_BACKEND" in x]
+        if not arg and _backend is not None:
+            cmake_backend = _backend
+        else:
+            cmake_backend = arg[0].split("=")[1].replace(".", "_") if arg else default_backend
+        # CMake determined backend will always take precedence over PL_BACKEND.
+        _backend = cmake_backend
+    if _backend is None:
+        _backend = default_backend
+    if _backend not in supported_backends:
+        raise ValueError(f"Invalid backend {_backend}.")
+    return _backend
+
+
+backend = get_backend()
+device_name = backend.replace("_", ".")
diff --git a/scripts/configure_pyproject_toml.py b/scripts/configure_pyproject_toml.py
new file mode 100755
index 000000000..57517954e
--- /dev/null
+++ b/scripts/configure_pyproject_toml.py
@@ -0,0 +1,99 @@
+# Copyright 2024 Xanadu Quantum Technologies Inc.
+
+# Licensed under the Apache License, Version 2.0 (the "License");
+# you may not use this file except in compliance with the License.
+# You may obtain a copy of the License at
+
+#     http://www.apache.org/licenses/LICENSE-2.0
+
+# Unless required by applicable law or agreed to in writing, software
+# distributed under the License is distributed on an "AS IS" BASIS,
+# WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied.
+# See the License for the specific language governing permissions and
+# limitations under the License.
+r"""
+Project configuration script.
+"""
+import argparse
+import os
+from pathlib import Path
+
+import toml
+from backend_support import backend, device_name
+
+path_to_version = Path("pennylane_lightning").absolute() / "core" / "_version.py"
+with open(path_to_version, encoding="utf-8") as f:
+    version = f.readlines()[-1].split()[-1].strip("\"'")
+
+
+########################################################################
+# Parsing arguments
+########################################################################
+def parse_args():
+    """Parse external arguments provided to the script."""
+    parser = argparse.ArgumentParser(
+        prog="python configure_pyproject_toml.py",
+        description="This module configures the pyproject.toml file for a Lightning backend (package).",
+    )
+
+    parser.add_argument(
+        "--path",
+        type=str,
+        default="",
+        nargs="?",
+        help="pyproject.toml file path",
+    )
+
+    return parser.parse_args()
+
+
+if __name__ == "__main__":
+    parsed_args = parse_args()
+    pyproject_path = os.path.join(parsed_args.path, "pyproject.toml")
+
+    pyproject = toml.load(pyproject_path)
+
+    # ------------------------
+    # Configure Build.
+    # ------------------------
+    requires = [
+        "cmake~=3.24.0",
+        "ninja; platform_system!='Windows'",
+        "setuptools>=42",
+        "toml",
+    ]
+    if backend == "lightning_gpu":
+        requires.append("custatevec-cu12")
+    if backend == "lightning_tensor":
+        requires.append("cutensornet-cu12")
+
+    pyproject["build-system"]["requires"] = requires
+
+    # ------------------------
+    # Configure Project.
+    # ------------------------
+    suffix = backend.replace("lightning_", "")
+    suffix = suffix.upper() if suffix == "gpu" else suffix.title()
+
+    plugin = "pennylane_lightning." + backend + ":Lightning" + suffix
+
+    pkg_suffix = "" if suffix == "Qubit" else "_" + suffix
+
+    # Specifying the project name.
+    pyproject["project"]["name"] = f"PennyLane_Lightning{pkg_suffix}"
+
+    # Project entry point.
+    pyproject["project"]["entry-points"]["pennylane.plugins"] = {device_name: plugin}
+
+    dependencies = [
+        "pennylane>=0.37",
+    ]
+
+    if backend != "lightning_qubit":
+        dependencies += ["pennylane_lightning==" + version]
+
+    # Package requirements.
+    pyproject["project"]["dependencies"] = dependencies
+
+    with open(pyproject_path, "w", encoding="utf-8") as file:
+        toml.dump(pyproject, file)
diff --git a/scripts/gen_pyver_matrix.py b/scripts/gen_pyver_matrix.py
old mode 100644
new mode 100755
index 956264d0c..0d65d03b9
--- a/scripts/gen_pyver_matrix.py
+++ b/scripts/gen_pyver_matrix.py
@@ -1,6 +1,6 @@
 import argparse
-import re
 import json
+import re
 
 
 def version_map(py_ver: str):
@@ -52,4 +52,4 @@ def version_map(py_ver: str):
 
     json_out = json.dumps(output_list)
 
-    print(json_out)
\ No newline at end of file
+    print(json_out)
diff --git a/setup.py b/setup.py
index e0ce37fc5..cd51c3a93 100644
--- a/setup.py
+++ b/setup.py
@@ -1,4 +1,4 @@
-# Copyright 2018-2023 Xanadu Quantum Technologies Inc.
+# Copyright 2018-2024 Xanadu Quantum Technologies Inc.
 
 # Licensed under the Apache License, Version 2.0 (the "License");
 # you may not use this file except in compliance with the License.
@@ -16,52 +16,15 @@
 import subprocess
 import shutil
 import sys
+import toml
+
 from pathlib import Path
 from setuptools import setup, Extension, find_namespace_packages
 from setuptools.command.build_ext import build_ext
 
-default_backend = "lightning_qubit"
-supported_backends = {"lightning_kokkos", "lightning_qubit", "lightning_gpu", "lightning_tensor"}
-supported_backends.update({sb.replace("_", ".") for sb in supported_backends})
-
-
-def get_backend():
-    """Return backend.
-
-    The backend is ``lightning_qubit`` by default.
-    Allowed values are: "lightning_kokkos", "lightning_qubit" and "lightning_gpu".
-    A dot can also be used instead of an underscore.
-    If the environment variable ``PL_BACKEND`` is defined, its value is used.
-    Otherwise, if the environment variable ``CMAKE_ARGS`` is defined and it
-    contains the CMake option ``PL_BACKEND``, its value is used.
-    Dots are replaced by underscores upon exiting.
-    """
-    backend = None
-    if "PL_BACKEND" in os.environ:
-        backend = os.environ.get("PL_BACKEND", default_backend)
-        backend = backend.replace(".", "_")
-    if "CMAKE_ARGS" in os.environ:
-        cmake_args = os.environ["CMAKE_ARGS"].split(" ")
-        arg = [x for x in cmake_args if "PL_BACKEND" in x]
-        if not arg and backend is not None:
-            cmake_backend = backend
-        else:
-            cmake_backend = arg[0].split("=")[1].replace(".", "_") if arg else default_backend
-        if backend is not None and backend != cmake_backend:
-            raise ValueError(
-                f"Backends {backend} and {cmake_backend} specified by PL_BACKEND and CMAKE_ARGS respectively do not match."
-            )
-        backend = cmake_backend
-    if backend is None:
-        backend = default_backend
-    if backend not in supported_backends:
-        raise ValueError(f"Invalid backend {backend}.")
-    return backend
-
-
-backend = get_backend()
-device_name = backend.replace("_", ".")
-
+project_name = toml.load("pyproject.toml")['project']['name']
+backend = project_name.replace("PennyLane_", "").lower()
+if (backend == "lightning"): backend = "lightning_qubit"
 
 class CMakeExtension(Extension):
     def __init__(self, name, sourcedir=""):
@@ -166,53 +129,23 @@ def build_extension(self, ext: CMakeExtension):
             env=os.environ,
         )
 
-
 with open(os.path.join("pennylane_lightning", "core", "_version.py"), encoding="utf-8") as f:
     version = f.readlines()[-1].split()[-1].strip("\"'")
 
-requirements = [
-    "pennylane>=0.36",
-]
-
 packages_list = ["pennylane_lightning." + backend]
 
 if backend == "lightning_qubit":
     packages_list += ["pennylane_lightning.core"]
-else:
-    requirements += ["pennylane_lightning==" + version]
-
-suffix = backend.replace("lightning_", "")
-if suffix == "gpu":
-    suffix = suffix[0:].upper()
-suffix = suffix[0].upper() + suffix[1:]
-
-pennylane_plugins = [device_name + " = pennylane_lightning." + backend + ":Lightning" + suffix]
-
-pkg_suffix = "" if suffix == "Qubit" else "_" + suffix
 
 info = {
-    "name": f"PennyLane_Lightning{pkg_suffix}",
     "version": version,
-    "maintainer": "Xanadu Inc.",
-    "maintainer_email": "software@xanadu.ai",
-    "url": "https://github.com/PennyLaneAI/pennylane-lightning",
-    "license": "Apache License 2.0",
     "packages": find_namespace_packages(include=packages_list),
     "include_package_data": True,
-    "entry_points": {"pennylane.plugins": pennylane_plugins},
-    "description": "PennyLane-Lightning plugin",
-    "long_description": open("README.rst").read(),
-    "long_description_content_type": "text/x-rst",
-    "install_requires": requirements,
     "ext_modules": (
         [] if os.environ.get("SKIP_COMPILATION", False) else [CMakeExtension(f"{backend}_ops")]
     ),
     "cmdclass": {"build_ext": CMakeBuild},
     "ext_package": "pennylane_lightning",
-    "extras_require": {
-        "gpu": ["pennylane-lightning-gpu"],
-        "kokkos": ["pennylane-lightning-kokkos"],
-    },
 }
 
 if backend == "lightning_qubit":
@@ -227,24 +160,4 @@ def build_extension(self, ext: CMakeExtension):
         }
     )
 
-classifiers = [
-    "Development Status :: 4 - Beta",
-    "Environment :: Console",
-    "Intended Audience :: Science/Research",
-    "License :: OSI Approved :: Apache Software License",
-    "Natural Language :: English",
-    "Operating System :: POSIX",
-    "Operating System :: MacOS :: MacOS X",
-    "Operating System :: POSIX :: Linux",
-    "Operating System :: Microsoft :: Windows",
-    "Programming Language :: Python",
-    "Programming Language :: Python :: 3",
-    "Programming Language :: Python :: 3.9",
-    "Programming Language :: Python :: 3.10",
-    "Programming Language :: Python :: 3.11",
-    "Programming Language :: Python :: 3.12",
-    "Programming Language :: Python :: 3 :: Only",
-    "Topic :: Scientific/Engineering :: Physics",
-]
-
-setup(classifiers=classifiers, **(info))
+setup(**(info))