Bump Docker's Lightning version & add Docker build workflow. (#593)

* Bump Docker's Lightning version & add Docker build workflow.

* Auto update version

* Mod pull_request triggers.

* No sudo.

* run on ubuntu-22.04

* Put back sudo.

* Install wget.

* Build lightning-qubit only.

* apt-get -y

* Fix LIGHTNING_VERSION

* test and push

* Use docker actions

* Fix l_version

* Add dockerfile path

* Add test.

* ubuntu-latest

* Fix cmake/support_kokkos.cmake for kokkos-cuda.

* Remove test which does not test much.

* Revert triggers

* Auto update version

* trigger ci

* save disk with no-cache=true

* commet pull_req trigger.

* Use GHA cache.

* Do not test.

* Fix trig.

* Fix trig.

* Revert trigs.

* runs-on:

* revert triggers

* Add latest tag.

* push: true

---------

Co-authored-by: Dev version update bot <github-actions[bot]@users.noreply.github.com>

Author: vincentmr

.github/CHANGELOG.md

@@ -19,11 +19,14 @@
 
 ### Bug fixes
 
+* Fix `lightning-kokkos-cuda` Docker build and add CI workflow to build images and push to Docker Hub.
+  [(#593)](https://github.com/PennyLaneAI/pennylane-lightning/pull/593)
+
 ### Contributors
 
 This release contains contributions from (in alphabetical order):
 
-Amintor Dusko, Lee J. O'Riordan, Shuli Shu
+Amintor Dusko, Vincent Michaud-Rioux, Lee J. O'Riordan, Shuli Shu
 
 ---
 

.github/workflows/docker_linux_x86_64.yml

@@ -0,0 +1,79 @@
+name: Docker::Linux::x86_64
+
+# **What it does**: Builds Docker images for Linux (ubuntu-22.04) architecture x86_64 and store it as artifacts.
+# **Why we have it**: To build Docker images to be uploaded to Docker Hub.
+# **Who does it impact**: Docker images uploaded to Docker Hub provide yet another way to install and use PennyLane + Lightning. It is especially useful on HPC platforms where environments can be difficult to set up.
+
+on:
+  release:
+    types: [published]
+  workflow_dispatch:
+
+concurrency:
+  group: docker_linux_x86_64-${{ github.ref }}
+  cancel-in-progress: true
+
+jobs:
+
+  docker:
+    strategy:
+      fail-fast: false
+      matrix:
+        os: [ubuntu-latest]
+        pl_version: ["0.34.0"]
+        pl_backend: ["lightning-qubit", "lightning-gpu", "lightning-kokkos-openmp", "lightning-kokkos-cuda", "lightning-kokkos-rocm"]
+    timeout-minutes: 180
+    name: docker::${{ matrix.os }}::${{ matrix.pl_backend }}::${{ matrix.pl_version }}
+    runs-on:
+      group: 'Lightning Additional Runners'
+    steps:
+
+      - name: Checkout
+        uses: actions/checkout@v3
+
+      - name: Set up Docker Buildx
+        uses: docker/setup-buildx-action@v3
+
+      - name: Login to Docker Hub
+        uses: docker/login-action@v3
+        with:
+          username: ${{ secrets.DOCKERHUB_USERNAME }}
+          password: ${{ secrets.DOCKERHUB_TOKEN }}
+
+      - name: Build and export to Docker
+        uses: docker/build-push-action@v5
+        with:
+          load: true
+          push: false
+          context: .
+          file: docker/Dockerfile
+          tags: test:${{ matrix.pl_version }}-${{ matrix.pl_backend }}
+          target: wheel-${{ matrix.pl_backend }}
+          build-args: |
+            LIGHTNING_VERSION=${{ matrix.pl_version }}
+
+      - name: Test
+        run: |
+          docker run --rm test:${{ matrix.pl_version }}-${{ matrix.pl_backend }}
+
+      - name: Build and push
+        uses: docker/build-push-action@v5
+        with:
+          push: true
+          context: .
+          file: docker/Dockerfile
+          tags: pennylaneai/pennylane:${{ matrix.pl_version }}-${{ matrix.pl_backend }}
+          target: wheel-${{ matrix.pl_backend }}
+          build-args: |
+            LIGHTNING_VERSION=${{ matrix.pl_version }}
+
+      - name: Build and push
+        uses: docker/build-push-action@v5
+        with:
+          push: true
+          context: .
+          file: docker/Dockerfile
+          tags: pennylaneai/pennylane:latest-${{ matrix.pl_backend }}
+          target: wheel-${{ matrix.pl_backend }}
+          build-args: |
+            LIGHTNING_VERSION=${{ matrix.pl_version }}

Makefile

@@ -138,7 +138,7 @@ endif
 ifdef version
     VERSION := $(version)
 else
-    VERSION := 0.33.1
+    VERSION := 0.34.0
 endif
 docker-build:
 	docker build -f docker/Dockerfile --tag=pennylaneai/pennylane:$(VERSION)-$(TARGET) --target wheel-$(TARGET) --build-arg='LIGHTNING_VERSION=$(VERSION)' .

docker/Dockerfile

@@ -20,8 +20,8 @@ ARG AMD_ARCH=AMD_GFX90A
 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=0.33.1
+ARG KOKKOS_VERSION=4.2.00
+ARG LIGHTNING_VERSION=0.34.0
 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 \
@@ -137,7 +137,7 @@ FROM base-build-cuda as build-kokkos-cuda
 WORKDIR /opt/kokkos-${KOKKOS_VERSION}
 # RUN wget --progress=dot:giga https://github.com/kokkos/kokkos/archive/refs/tags/${KOKKOS_VERSION}.tar.gz
 # RUN tar -zxf ${KOKKOS_VERSION}.tar.gz && mv /opt/kokkos-${KOKKOS_VERSION}/kokkos-${KOKKOS_VERSION}/* /opt/kokkos-${KOKKOS_VERSION}
-RUN git clone --branch fix-rtld-deepbind https://github.com/cz4rs/kokkos.git /opt/kokkos-${KOKKOS_VERSION}
+RUN git clone --branch lightning https://github.com/vincentmr/kokkos.git /opt/kokkos-${KOKKOS_VERSION}
 RUN cmake -S /opt/kokkos-${KOKKOS_VERSION} -B /opt/kokkos-${KOKKOS_VERSION}/build \
     -G Ninja \
     -DCMAKE_BUILD_TYPE=Release \
@@ -161,6 +161,7 @@ WORKDIR /opt/pennylane-lightning
 COPY --from=build-kokkos-cuda /opt/kokkos /opt/kokkos
 ENV CMAKE_PREFIX_PATH=/opt/kokkos:$CMAKE_PREFIX_PATH
 RUN pip uninstall -y pennylane-lightning
+RUN echo >> cmake/support_kokkos.cmake && echo "find_package(CUDAToolkit REQUIRED)" >> cmake/support_kokkos.cmake
 RUN PL_BACKEND=lightning_kokkos python setup.py build_ext
 RUN PL_BACKEND=lightning_kokkos python setup.py bdist_wheel
 

pennylane_lightning/core/_version.py

@@ -16,4 +16,4 @@
    Version number (major.minor.patch[-label])
 """
 
-__version__ = "0.35.0-dev2"
+__version__ = "0.35.0-dev3"