Upgrade/dockerfile v0.33

.github/CHANGELOG.md

@@ -6,6 +6,9 @@
 
 ### Improvements
 
+* Update Dockerfile and rewrite the `build-wheel-lightning-gpu` stage to build Lightning-GPU from the `pennylane-lightning` monorepo.
+  [(#539)] (https://github.com/PennyLaneAI/pennylane-lightning/pull/539)
+
 * Add the MPI test CI workflows of Lightning-GPU in compatibility cron jobs.
   [(#536)] (https://github.com/PennyLaneAI/pennylane-lightning/pull/536)
 
@@ -111,7 +114,7 @@ Lee J. O'Riordan
 
 ### Improvements
 
-* Improve Python testing for Lightning-GPU (+MPI) by adding jobs in Actions files and adding Python tests to increase code coverage.   
+* Improve Python testing for Lightning-GPU (+MPI) by adding jobs in Actions files and adding Python tests to increase code coverage.
   [(#522)](https://github.com/PennyLaneAI/pennylane-lightning/pull/522)
 
 * Add support for `pip install pennylane-lightning[kokkos]` for the OpenMP backend.
@@ -142,7 +145,7 @@ Lee J. O'Riordan
 
 ### Bug fixes
 
-* Fix CI issues running python-cov with MPI. 
+* Fix CI issues running python-cov with MPI.
   [(#535)](https://github.com/PennyLaneAI/pennylane-lightning/pull/535)
 
 * Re-add support for `pip install pennylane-lightning[gpu]`.

Makefile

@@ -138,24 +138,24 @@ endif
 ifdef version
     VERSION := $(version)
 else
-    VERSION := 0.32.0
+    VERSION := 0.33.0
 endif
 docker-build:
-	docker build -f docker/Dockerfile --tag=pennylaneai/pennylane:$(VERSION)-$(TARGET) --target wheel-$(TARGET) .
+	docker build -f docker/Dockerfile --tag=pennylaneai/pennylane:$(VERSION)-$(TARGET) --target wheel-$(TARGET) --build-arg='LIGHTNING_VERSION=$(VERSION)' .
 docker-push:
 	docker push pennylaneai/pennylane:$(VERSION)-$(TARGET)
 docker-build-all:
+	$(MAKE) docker-build target=lightning-qubit
 	$(MAKE) docker-build target=lightning-gpu
+	$(MAKE) docker-build target=lightning-kokkos-openmp
 	$(MAKE) docker-build target=lightning-kokkos-cuda
 	$(MAKE) docker-build target=lightning-kokkos-rocm
-	$(MAKE) docker-build target=lightning-kokkos-openmp
-	$(MAKE) docker-build target=lightning-qubit
 docker-push-all:
+	$(MAKE) docker-push target=lightning-qubit
 	$(MAKE) docker-push target=lightning-gpu
+	$(MAKE) docker-push target=lightning-kokkos-openmp
 	$(MAKE) docker-push target=lightning-kokkos-cuda
 	$(MAKE) docker-push target=lightning-kokkos-rocm
-	$(MAKE) docker-push target=lightning-kokkos-openmp
-	$(MAKE) docker-push target=lightning-qubit
 docker-all:
 	$(MAKE) docker-build-all
 	$(MAKE) docker-push-all

docker/Dockerfile

@@ -21,7 +21,7 @@ ARG CUDA_ARCH=AMPERE80
 ARG CUDA_INSTALLER=https://developer.download.nvidia.com/compute/cuda/12.2.2/local_installers/cuda_12.2.2_535.104.05_linux.run
 ARG GCC_VERSION=11
 ARG KOKKOS_VERSION=4.1.00
-ARG LIGHTNING_VERSION=0.32.0
+ARG LIGHTNING_VERSION=0.33.0
 ARG ROCM_INSTALLER=https://repo.radeon.com/amdgpu-install/5.7/ubuntu/jammy/amdgpu-install_5.7.50700-1_all.deb
 RUN apt-get update \
     && apt-get install --no-install-recommends -y \
@@ -78,13 +78,14 @@ RUN pip install --no-cache-dir -r doc/requirements.txt
 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 --define="ENABLE_KOKKOS=OFF"
+RUN python setup.py build_ext
 RUN python setup.py bdist_wheel
 
 # Install lightning-qubit backend
 FROM base-runtime AS wheel-lightning-qubit
 COPY --from=build-wheel-lightning-qubit /opt/pennylane-lightning/dist/ /
 RUN pip install --force-reinstall --no-cache-dir PennyLane_Lightning*.whl && rm PennyLane_Lightning*.whl
+RUN pip install --no-cache-dir -U pennylane
 
 # Download Kokkos release and build OpenMP backend
 FROM base-build as build-kokkos-openmp
@@ -120,6 +121,7 @@ FROM base-runtime AS wheel-lightning-kokkos-openmp
 COPY --from=build-kokkos-openmp /opt/kokkos /opt/kokkos
 COPY --from=build-wheel-lightning-kokkos-openmp /opt/pennylane-lightning/dist/ /
 RUN pip install --force-reinstall --no-cache-dir PennyLane_Lightning*.whl && rm PennyLane_Lightning*.whl
+RUN pip install --no-cache-dir -U pennylane
 
 # Install CUDA-12 in build venv image
 FROM base-build-python as base-build-cuda
@@ -179,22 +181,15 @@ ENV PATH="$VIRTUAL_ENV/bin:$PATH"
 COPY --from=build-kokkos-cuda /opt/kokkos /opt/kokkos
 COPY --from=build-wheel-lightning-kokkos-cuda /opt/pennylane-lightning/dist/ /
 RUN pip install --force-reinstall --no-cache-dir PennyLane_Lightning*.whl && rm PennyLane_Lightning*.whl
+RUN pip install --no-cache-dir -U pennylane
 
 # Download and build Lightning-GPU release
 FROM base-build-cuda AS build-wheel-lightning-gpu
-WORKDIR /opt/pennylane-lightning-gpu
-ENV VIRTUAL_ENV=/opt/venv
-RUN python3 -m venv $VIRTUAL_ENV
-ENV PATH="$VIRTUAL_ENV/bin:$PATH"
-RUN wget --progress=dot:giga https://github.com/PennyLaneAI/pennylane-lightning-gpu/archive/refs/tags/v${LIGHTNING_VERSION}.tar.gz
-RUN tar -zxf v${LIGHTNING_VERSION}.tar.gz && ls -l
-RUN mv pennylane-lightning-gpu-${LIGHTNING_VERSION}/* /opt/pennylane-lightning-gpu
-RUN pip uninstall -y pennylane-lightning-gpu
+WORKDIR /opt/pennylane-lightning
 RUN pip install --no-cache-dir wheel custatevec-cu12
-RUN --mount=type=bind,source=requirements.txt,target=requirements.txt \
-    pip install --no-cache-dir -r requirements.txt
-RUN python setup.py build_ext --cuquantum=$(python -c "import site; print( f'{site.getsitepackages()[0]}/cuquantum/lib')")
-RUN python setup.py bdist_wheel
+RUN pip uninstall -y pennylane-lightning
+RUN CUQUANTUM_SDK=$(python -c "import site; print( f'{site.getsitepackages()[0]}/cuquantum/lib')") PL_BACKEND=lightning_gpu python setup.py build_ext
+RUN PL_BACKEND=lightning_gpu python setup.py bdist_wheel
 
 # Install python3 and setup runtime virtual env in CUDA-12-runtime image (includes CUDA runtime and math libraries)
 # Install lightning-kokkos CUDA backend
@@ -211,8 +206,10 @@ ENV VIRTUAL_ENV=/opt/venv
 RUN python3 -m venv $VIRTUAL_ENV
 ENV PATH="$VIRTUAL_ENV/bin:$PATH"
 RUN pip install --no-cache-dir custatevec-cu12
-COPY --from=build-wheel-lightning-gpu /opt/pennylane-lightning-gpu/dist/ /
+ENV LD_LIBRARY_PATH="$VIRTUAL_ENV/lib/python3.10/site-packages/cuquantum/lib:$LD_LIBRARY_PATH"
+COPY --from=build-wheel-lightning-gpu /opt/pennylane-lightning/dist/ /
 RUN pip install --no-cache-dir --force-reinstall PennyLane_Lightning*.whl && rm PennyLane_Lightning*.whl
+RUN pip install --no-cache-dir -U pennylane
 
 # Install ROCm in build venv image
 FROM base-build-python as base-build-rocm
@@ -275,3 +272,4 @@ ENV PATH="$VIRTUAL_ENV/bin:$PATH"
 COPY --from=build-kokkos-rocm /opt/kokkos /opt/kokkos
 COPY --from=build-wheel-lightning-kokkos-rocm /opt/pennylane-lightning/dist/ /
 RUN pip install --force-reinstall --no-cache-dir PennyLane_Lightning*.whl && rm PennyLane_Lightning*.whl
+RUN pip install --no-cache-dir -U pennylane

docker/README.md

@@ -16,11 +16,11 @@ You can also check the Lightning-plugins documentation:
 Each image contains PennyLane and one of several high-performance plugins.
 Choose a version (e.g. `0.32.0`) and append a device (plugin) name among the following:
 
+- `lightning-qubit`: [pennylane-lightning](https://github.com/PennyLaneAI/pennylane-lightning) provides a fast state-vector simulator written in C++.
 - `lightning-gpu`: [pennylane-lightning-gpu](https://github.com/PennyLaneAI/pennylane-lightning-gpu) is a plugin based on the NVIDIA [cuQuantum SDK](https://developer.nvidia.com/cuquantum-sdk).
 - `lightning-kokkos-cuda`: [pennylane-lightning-kokkos](https://github.com/PennyLaneAI/pennylane-lightning#lightning-kokkos-installation) parallelizes state-vector simulations using Kokkos' [CUDA](https://developer.nvidia.com/cuda-toolkit) backend.
 - `lightning-kokkos-openmp`: [pennylane-lightning-kokkos](https://github.com/PennyLaneAI/pennylane-lightning#lightning-kokkos-installation) parallelizes state-vector simulations using Kokkos' [OpenMP](https://www.openmp.org/) backend.
 - `lightning-kokkos-rocm`: [pennylane-lightning-kokkos](https://github.com/PennyLaneAI/pennylane-lightning#lightning-kokkos-installation) parallelizes state-vector simulations using Kokkos' [HIP](https://docs.amd.com/projects/HIP/en/docs-5.3.0/index.html) backend.
-- `lightning-qubit`: [pennylane-lightning](https://github.com/PennyLaneAI/pennylane-lightning) provides a fast state-vector simulator written in C++.
 
 If you have Docker installed, download and spawn a container with `pennylane-lightning` as follows
 
@@ -55,11 +55,11 @@ pl-device-test --device lightning.qubit --shots 10000
 
 Decide on a target among:
 
+- `wheel-lightning-qubit`
 - `wheel-lightning-gpu`
 - `wheel-lightning-kokkos-cuda`
 - `wheel-lightning-kokkos-openmp`
 - `wheel-lightning-kokkos-rocm`
-- `wheel-lightning-qubit`
 
 For instance `TARGET=wheel-lightning-qubit`.
 Then the following command will build the target

pennylane_lightning/core/_version.py

@@ -16,4 +16,4 @@
    Version number (major.minor.patch[-label])
 """
 
-__version__ = "0.34.0-dev5"
+__version__ = "0.34.0-dev6"