PR #2683 Follow up (#2705)

Signed-off-by: Sachin Pisal <[email protected]>
Signed-off-by: Thien Nguyen <[email protected]>
Signed-off-by: Bettina Heim <[email protected]>
Co-authored-by: Bettina Heim <[email protected]>
Co-authored-by: Thien Nguyen <[email protected]>

Author: 3 people

.github/workflows/ci.yml

@@ -234,7 +234,7 @@ jobs:
     strategy:
       matrix:
         platform: [amd64, arm64]
-        python_version: ['3.10', '3.12']
+        python_version: ['3.12'] # FIXME: add '3.10' back
         cuda_version: ["11.8", "12.0"]
       fail-fast: false
     uses: ./.github/workflows/python_wheels.yml
@@ -255,7 +255,7 @@ jobs:
     uses: ./.github/workflows/python_metapackages.yml
     with:
       cudaq_version: ${{ needs.python_wheels.outputs.cudaq_version }}
-      python_versions: "['3.10', '3.12']"
+      python_versions: "['3.12']" # fixme: reenable 3.10
       cuda_versions: "['', '11.8', '12.0']"
       wheel_artifacts: 'pycudaq-*'
 

.github/workflows/config/validation_config.json

@@ -6,8 +6,7 @@
             "operating_systems": 
             [
                 "ubuntu:22.04",
-                "fedora:39",
-                "opensuse/leap:15.5"
+                "fedora:39"
             ]
         },
         {
@@ -17,8 +16,7 @@
                 "ubuntu:22.04",
                 "debian:12",
                 "fedora:38",
-                "redhat/ubi9:9.2",
-                "opensuse/leap:15.5"
+                "redhat/ubi9:9.2"
             ]
         },
         {
@@ -27,8 +25,7 @@
             [
                 "ubuntu:24.04",
                 "fedora:39",
-                "redhat/ubi9:9.2",
-                "opensuse/leap:15.6"
+                "redhat/ubi9:9.2"
             ]
         }
     ],

.github/workflows/docker_images.yml

@@ -719,7 +719,7 @@ jobs:
           # Unfortunately, we need to install cuquantum for docs generation to work properly, 
           # since using mock imports in the autodocs configuration doesn't work properly. 
           # See also https://github.com/sphinx-doc/sphinx/issues/11211. 
-          docker exec cuda-quantum-dev bash -c "python3 -m pip install cuquantum-python-cu12~=24.11"
+          docker exec cuda-quantum-dev bash -c "python3 -m pip cache purge && python3 -m pip install cuquantum-python-cu12~=24.11"
           
           (docker exec cuda-quantum-dev bash -c "export $docs_version && bash scripts/build_docs.sh" && built=true) || built=false
           if $built; then docker cp cuda-quantum-dev:"/usr/local/cudaq/docs/." docs; \
@@ -820,7 +820,7 @@ jobs:
           docker cp docs/notebook_validation.py cuda-quantum:"/home/cudaq/notebook_validation.py"
           # In containers without GPU support, UCX does not work properly since it is configured to work with GPU-support.
           # Hence, don't enforce UCX when running these tests.
-          docker exec cuda-quantum bash -c "python3 -m pip install pandas scipy pandas seaborn 'h5py<3.11' contfrac"
+          docker exec cuda-quantum bash -c "python3 -m pip cache purge && python3 -m pip install pandas scipy pandas seaborn 'h5py<3.11' contfrac"
           (docker exec cuda-quantum bash -c "unset OMPI_MCA_pml && set -o pipefail && bash validate_container.sh | tee /tmp/validation.out") && passed=true || passed=false
           docker cp cuda-quantum:"/tmp/validation.out" /tmp/validation.out
           docker stop cuda-quantum

.github/workflows/publishing.yml

@@ -839,11 +839,10 @@ jobs:
       - name: Basic validation (GPU backends)
         shell: bash
         run: |
-          # We don't test the 'dynamics' target in these tests
           backends_to_test=`\
               for file in $(ls $CUDA_QUANTUM_PATH/targets/*.yml); \
               do
-                  if [[ "$file" != *"dynamics"* ]] && [ -n "$(cat $file | grep "gpu-requirements")" ]; then \
+                  if [ -n "$(cat $file | grep "gpu-requirements")" ]; then \
                     basename $file | cut -d "." -f 1; \
                   elif [ -n "$(basename $file | grep mqpu)" ]; then \
                     echo remote-mqpu; \

.github/workflows/python_wheels.yml

@@ -188,6 +188,13 @@ jobs:
       matrix:
         os_image: ${{ fromJSON(needs.create_test_config.outputs.json).os_images }}
         pip_install_flags: ['', '--user']
+        exclude: 
+          - os_image: ubuntu:22.04
+            pip_install_flags: '--user'
+          - os_image: ubuntu:24.04
+            pip_install_flags: '--user'
+          - os_image: fedora:39
+            pip_install_flags: ''
       fail-fast: false
 
     steps:

.github/workflows/test_in_devenv.yml

@@ -222,8 +222,9 @@ jobs:
           shell: bash
           run: |
             cd $CUDAQ_REPO_ROOT
+            pip cache purge
             pip install iqm_client==16.1 --user -vvv
-            pip install . --user -vvv
+            pip install . -vvv # FIXME: --user causes package hash mismatch on ubuntu...
             pyinstall_status=$?
             if [ ! $pyinstall_status -eq 0 ]; then
               echo "::error file=test_in_devenv.yml:: Pip install of CUDA Quantum failed with status $pyinstall_status."

docker/build/devdeps.Dockerfile

@@ -145,12 +145,12 @@ COPY --from=prereqs /usr/local/aws "$AWS_INSTALL_PREFIX"
 
 # Install additional dependencies required to build and test CUDA-Q.
 RUN apt-get update && apt-get install --no-install-recommends -y wget ca-certificates \
-    && wget https://github.com/Kitware/CMake/releases/download/v3.26.4/cmake-3.26.4-linux-$(uname -m).tar.gz \
-    && tar xf cmake-3.26.4* && mv cmake-3.26.4-linux-$(uname -m)/ /usr/local/cmake-3.26/ && rm -rf cmake-3.26.4* \
+    && wget https://github.com/Kitware/CMake/releases/download/v3.28.4/cmake-3.28.4-linux-$(uname -m).tar.gz \
+    && tar xf cmake-3.28.4* && mv cmake-3.28.4-linux-$(uname -m)/ /usr/local/cmake-3.28/ && rm -rf cmake-3.28.4* \
     # NOTE: removing ca-certificates also remove python3-pip.
     && apt-get remove -y wget ca-certificates \
     && apt-get autoremove -y --purge && apt-get clean && rm -rf /var/lib/apt/lists/*
-ENV PATH="${PATH}:/usr/local/cmake-3.26/bin"
+ENV PATH="${PATH}:/usr/local/cmake-3.28/bin"
 # We must use h5py<3.11 because 3.11 doesn't include aarch64 Linux wheels.
 # https://github.com/h5py/h5py/issues/2408
 RUN apt-get update && apt-get install -y --no-install-recommends \

docker/build/devdeps.manylinux.Dockerfile

@@ -78,7 +78,7 @@ RUN dnf install -y --nobest --setopt=install_weak_deps=False \
     && cmake --build . --target install --config Release \
     && cd / && rm -rf /pybind11-project
 
-RUN curl -L https://github.com/Kitware/CMake/releases/download/v3.26.4/cmake-3.26.4-linux-$(uname -m).sh -o cmake-install.sh \
+RUN curl -L https://github.com/Kitware/CMake/releases/download/v3.28.4/cmake-3.28.4-linux-$(uname -m).sh -o cmake-install.sh \
     && bash cmake-install.sh --skip-licence --exclude-subdir --prefix=/usr/local \
     && rm cmake-install.sh
 

docker/test/wheels/debian.Dockerfile

@@ -24,6 +24,7 @@ ENV VIRTUAL_ENV=/opt/venv
 RUN python${python_version} -m venv "$VIRTUAL_ENV"
 ENV PATH="$VIRTUAL_ENV/bin:$PATH"
 RUN if [ -n "$preinstalled_modules" ]; then \
+        python${python_version} -m pip cache purge && \
         echo $preinstalled_modules | xargs python${python_version} -m pip install; \
     fi
 
@@ -42,7 +43,8 @@ RUN if [ -n "$pip_install_flags" ]; then \
         sed -i 's/include-system-site-packages = false/include-system-site-packages = true/' $VIRTUAL_ENV/pyvenv.cfg; \
     fi
 
-RUN python${python_version} -m pip install ${pip_install_flags} /tmp/$cuda_quantum_wheel
+RUN python${python_version} -m pip cache purge && \
+    python${python_version} -m pip install ${pip_install_flags} /tmp/$cuda_quantum_wheel
 RUN if [ -n "$optional_dependencies" ]; then \
         cudaq_package=$(echo $cuda_quantum_wheel | cut -d '-' -f1 | tr _ -) && \
         python${python_version} -m pip install ${pip_install_flags} $cudaq_package[$optional_dependencies]; \

docker/test/wheels/fedora.Dockerfile

@@ -22,6 +22,7 @@ RUN dnf update -y --nobest expat \
         python$(echo $python_version | tr -d .) \
     && python${python_version} -m ensurepip --upgrade
 RUN if [ -n "$preinstalled_modules" ]; then \
+        python${python_version} -m pip cache purge && \
         echo $preinstalled_modules | xargs python${python_version} -m pip install; \
     fi
 
@@ -35,7 +36,8 @@ COPY docs/sphinx/snippets/python /tmp/snippets/
 COPY python/tests /tmp/tests/
 COPY python/README*.md /tmp/
 
-RUN python${python_version} -m pip install ${pip_install_flags} /tmp/$cuda_quantum_wheel
+RUN python${python_version} -m pip cache purge && \
+    python${python_version} -m pip install ${pip_install_flags} /tmp/$cuda_quantum_wheel
 RUN if [ -n "$optional_dependencies" ]; then \
         cudaq_package=$(echo $cuda_quantum_wheel | cut -d '-' -f1 | tr _ -) && \
         python${python_version} -m pip install ${pip_install_flags} $cudaq_package[$optional_dependencies]; \