Merge pull request #133 from hklion/HSdevmerge_230908

Harris Sheet merge 09/08/2023

.clang-tidy

@@ -1,20 +1,31 @@
 Checks: '-*,
     bugprone-*
-    -bugprone-easily-swappable-parameters,
-    -bugprone-implicit-widening-of-multiplication-result,
-    -bugprone-misplaced-widening-cast,
+        -bugprone-easily-swappable-parameters,
+        -bugprone-implicit-widening-of-multiplication-result,
+        -bugprone-misplaced-widening-cast,
+        -bugprone-unchecked-optional-access,
     cert-*
-    -cert-err58-cpp,
+        -cert-err58-cpp,
     cppcoreguidelines-avoid-goto,
     cppcoreguidelines-interfaces-global-init,
-    -cppcoreguidelines-avoid-non-const-global-variables,
-    -cppcoreguidelines-init-variables,
-    -cppcoreguidelines-macro-usage,
-    -cppcoreguidelines-narrowing-conversions,
-    -cppcoreguidelines-no-malloc,
-    -cppcoreguidelines-owning-memory,
+        -cppcoreguidelines-avoid-non-const-global-variables,
+        -cppcoreguidelines-init-variables,
+        -cppcoreguidelines-macro-usage,
+        -cppcoreguidelines-narrowing-conversions,
+        -cppcoreguidelines-no-malloc,
+        -cppcoreguidelines-owning-memory,
+    google-build-explicit-make-pair,
+    google-build-namespaces,
+    google-global-names-in-headers,
     misc-const-correctness,
     misc-misleading-bidirectional,
+    misc-misleading-identifier,
+    misc-misplaced-const,
+    misc-uniqueptr-reset-release,
+    misc-unused-alias-decls,
+    misc-unused-parameters,
+    misc-unused-using-decls,
+        -misc-definitions-in-headers,
     modernize-avoid-bind,
     modernize-concat-nested-namespaces,
     modernize-deprecated-headers,
@@ -41,17 +52,31 @@ Checks: '-*,
     performance-inefficient-vector-operation,
     performance-move-const-arg,
     performance-move-constructor-init,
+    performance-no-automatic-move,
+    performance-no-int-to-ptr,
+    readability-avoid-const-params-in-decls,
+    readability-const-return-type,
+    readability-container-contains,
+    readability-container-data-pointer,
+    readability-container-size-empty,
     readability-non-const-parameter,
+    readability-redundant-control-flow,
+    readability-redundant-declaration,
+    readability-redundant-function-ptr-dereference,
+    readability-redundant-member-init,
+    readability-redundant-preprocessor,
+    readability-redundant-smartptr-get,
+    readability-redundant-string-cstr,
+    readability-redundant-string-init,
     readability-simplify-boolean-expr,
     readability-simplify-subscript-expr,
     readability-static-accessed-through-instance,
     readability-static-definition-in-anonymous-namespace,
     readability-string-compare,
     readability-suspicious-call-argument,
     readability-uniqueptr-delete-release,
-    -readability-uppercase-literal-suffix,
     readability-use-anyofallof,
-    readability-non-const-parameter
+        -readability-uppercase-literal-suffix
     '
 
 CheckOptions:

.github/workflows/cuda.yml

@@ -12,7 +12,7 @@ jobs:
 #   https://github.com/ComputationalRadiationPhysics/picongpu/blob/0.5.0/share/picongpu/dockerfiles/ubuntu-1604/Dockerfile
 #   https://developer.download.nvidia.com/compute/cuda/repos/ubuntu1804/x86_64/
   build_nvcc:
-    name: NVCC 11.0.3 SP
+    name: NVCC 11.3 SP
     runs-on: ubuntu-20.04
     if: github.event.pull_request.draft == false
     env:
@@ -30,7 +30,7 @@ jobs:
         python-version: '3.x'
     - name: install dependencies
       run: |
-        .github/workflows/dependencies/nvcc11-0.sh
+        .github/workflows/dependencies/nvcc11-3.sh
     - name: CCache Cache
       uses: actions/cache@v3
       # - once stored under a key, they become immutable (even if local cache path content changes)
@@ -65,7 +65,7 @@ jobs:
           -DCMAKE_VERBOSE_MAKEFILE=ON  \
           -DWarpX_COMPUTE=CUDA         \
           -DWarpX_EB=ON                \
-          -DWarpX_LIB=ON               \
+          -DWarpX_PYTHON=ON            \
           -DAMReX_CUDA_ARCH=6.0        \
           -DWarpX_OPENPMD=ON           \
           -DWarpX_openpmd_internal=OFF \
@@ -77,7 +77,8 @@ jobs:
 
         python3 -m pip install --upgrade pip setuptools wheel
         export WARPX_MPI=ON
-        PYWARPX_LIB_DIR=$PWD/build_sp/lib python3 -m pip wheel .
+        export PYWARPX_LIB_DIR=$PWD/build_sp/lib/site-packages/pywarpx/
+        python3 -m pip wheel .
         python3 -m pip install *.whl
 
   # make sure legacy build system continues to build, i.e., that we don't forget
@@ -110,7 +111,7 @@ jobs:
         which nvcc || echo "nvcc not in PATH!"
 
         git clone https://github.com/AMReX-Codes/amrex.git ../amrex
-        cd ../amrex && git checkout --detach cf8d9f8e233be2ac68aeb65a95e992adfb483939 && cd -
+        cd ../amrex && git checkout --detach 23.09 && cd -
         make COMP=gcc QED=FALSE USE_MPI=TRUE USE_GPU=TRUE USE_OMP=FALSE USE_PSATD=TRUE USE_CCACHE=TRUE -j 2
 
   build_nvhpc21-11-nvcc:
@@ -161,7 +162,7 @@ jobs:
           -DCMAKE_VERBOSE_MAKEFILE=ON  \
           -DWarpX_COMPUTE=CUDA         \
           -DWarpX_EB=ON                \
-          -DWarpX_LIB=ON               \
+          -DWarpX_PYTHON=ON            \
           -DAMReX_CUDA_ARCH=8.0        \
           -DWarpX_OPENPMD=ON           \
           -DWarpX_PSATD=ON             \
@@ -172,9 +173,10 @@ jobs:
         # work-around for mpi4py 3.1.1 build system issue with using
         # a GNU-built Python executable with non-GNU Python modules
         #   https://github.com/mpi4py/mpi4py/issues/114
-        export CFLAGS="-noswitcherror"
+        #export CFLAGS="-noswitcherror"
 
-        python3 -m pip install --upgrade pip setuptools wheel
-        export WARPX_MPI=ON
-        PYWARPX_LIB_DIR=$PWD/build/lib python3 -m pip wheel .
-        python3 -m pip install *.whl
+        #python3 -m pip install --upgrade pip setuptools wheel
+        #export WARPX_MPI=ON
+        #export PYWARPX_LIB_DIR=$PWD/build/lib/site-packages/pywarpx/
+        #python3 -m pip wheel .
+        #python3 -m pip install *.whl

.github/workflows/dependencies/nvcc11-0.sh → .github/workflows/dependencies/nvcc11-3.sh

@@ -1,6 +1,6 @@
 #!/usr/bin/env bash
 #
-# Copyright 2020-2022 The WarpX Community
+# Copyright 2020-2023 The WarpX Community
 #
 # License: BSD-3-Clause-LBNL
 # Authors: Axel Huebl
@@ -26,30 +26,27 @@ sudo apt-get install -y \
     pkg-config          \
     wget
 
-wget https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2004/x86_64/cuda-ubuntu2004.pin
-sudo mv cuda-ubuntu2004.pin /etc/apt/preferences.d/cuda-repository-pin-600
-sudo apt-key adv --fetch-keys https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2004/x86_64/3bf863cc.pub
-echo "deb https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2004/x86_64/ /" \
-    | sudo tee /etc/apt/sources.list.d/cuda.list
+wget https://developer.download.nvidia.com/compute/cuda/repos/ubuntu2004/x86_64/cuda-keyring_1.0-1_all.deb
+sudo dpkg -i cuda-keyring_1.0-1_all.deb
 
 sudo apt-get update
 sudo apt-get install -y          \
-    cuda-command-line-tools-11-0 \
-    cuda-compiler-11-0           \
-    cuda-cupti-dev-11-0          \
-    cuda-minimal-build-11-0      \
-    cuda-nvml-dev-11-0           \
-    cuda-nvtx-11-0               \
-    libcufft-dev-11-0            \
-    libcurand-dev-11-0
-sudo ln -s cuda-11.0 /usr/local/cuda
+    cuda-command-line-tools-11-3 \
+    cuda-compiler-11-3           \
+    cuda-cupti-dev-11-3          \
+    cuda-minimal-build-11-3      \
+    cuda-nvml-dev-11-3           \
+    cuda-nvtx-11-3               \
+    libcufft-dev-11-3            \
+    libcurand-dev-11-3
+sudo ln -s cuda-11.3 /usr/local/cuda
 
 # if we run out of temporary storage in CI:
-#du -sh /usr/local/cuda-11.0
+#du -sh /usr/local/cuda-11.3
 #echo "+++ REDUCING CUDA Toolkit install size +++"
-#sudo rm -rf /usr/local/cuda-11.0/targets/x86_64-linux/lib/libcu{fft,pti,rand}_static.a
-#sudo rm -rf /usr/local/cuda-11.0/targets/x86_64-linux/lib/libnvperf_host_static.a
-#du -sh /usr/local/cuda-11.0/
+#sudo rm -rf /usr/local/cuda-11.3/targets/x86_64-linux/lib/libcu{fft,pti,rand}_static.a
+#sudo rm -rf /usr/local/cuda-11.3/targets/x86_64-linux/lib/libnvperf_host_static.a
+#du -sh /usr/local/cuda-11.3/
 #df -h
 
 # cmake-easyinstall

.github/workflows/dependencies/nvhpc.sh

@@ -12,8 +12,8 @@ set -eu -o pipefail
 #   failed files the given number of times.
 echo 'Acquire::Retries "3";' | sudo tee /etc/apt/apt.conf.d/80-retries
 
-sudo apt-get -qqq update
-sudo apt-get install -y \
+sudo apt -qqq update
+sudo apt install -y     \
     build-essential     \
     ca-certificates     \
     cmake               \
@@ -27,8 +27,12 @@ sudo apt-get install -y \
 
 echo 'deb [trusted=yes] https://developer.download.nvidia.com/hpc-sdk/ubuntu/amd64 /' | \
   sudo tee /etc/apt/sources.list.d/nvhpc.list
-sudo apt-get update -y
-sudo apt-get install -y --no-install-recommends nvhpc-21-11
+sudo apt update -y && \
+sudo apt install -y --no-install-recommends nvhpc-21-11 && \
+sudo rm -rf /var/lib/apt/lists/* && \
+  sudo rm -rf /opt/nvidia/hpc_sdk/Linux_x86_64/21.11/examples \
+              /opt/nvidia/hpc_sdk/Linux_x86_64/21.11/profilers \
+              /opt/nvidia/hpc_sdk/Linux_x86_64/21.11/math_libs/11.5/targets/x86_64-linux/lib/lib*_static*.a
 
 # things should reside in /opt/nvidia/hpc_sdk now
 

.github/workflows/hip.yml

@@ -51,15 +51,16 @@ jobs:
           -DAMReX_AMD_ARCH=gfx900     \
           -DWarpX_COMPUTE=HIP         \
           -DWarpX_EB=ON               \
-          -DWarpX_LIB=ON              \
+          -DWarpX_PYTHON=ON           \
           -DWarpX_MPI=ON              \
           -DWarpX_OPENPMD=ON          \
           -DWarpX_PRECISION=SINGLE    \
           -DWarpX_PSATD=ON
         cmake --build build_sp -j 2
 
         export WARPX_MPI=OFF
-        PYWARPX_LIB_DIR=$PWD/build_sp/lib python3 -m pip wheel .
+        export PYWARPX_LIB_DIR=$PWD/build_sp/lib/site-packages/pywarpx/
+        python3 -m pip wheel .
         python3 -m pip install *.whl
 
   build_hip_2d_dp:
@@ -107,13 +108,14 @@ jobs:
           -DWarpX_DIMS=2              \
           -DWarpX_COMPUTE=HIP         \
           -DWarpX_EB=ON               \
-          -DWarpX_LIB=ON              \
+          -DWarpX_PYTHON=ON           \
           -DWarpX_MPI=ON              \
           -DWarpX_OPENPMD=ON          \
           -DWarpX_PRECISION=DOUBLE    \
           -DWarpX_PSATD=ON
         cmake --build build_2d -j 2
 
         export WARPX_MPI=OFF
-        PYWARPX_LIB_DIR=$PWD/build_2d/lib python3 -m pip wheel .
+        export PYWARPX_LIB_DIR=$PWD/build_2d/lib/site-packages/pywarpx/
+        python3 -m pip wheel .
         python3 -m pip install *.whl

.github/workflows/intel.yml

@@ -41,25 +41,29 @@ jobs:
         export CXX=$(which icpc)
         export CC=$(which icc)
 
+        python3 -m pip install --upgrade pip setuptools wheel
+
         cmake -S . -B build_dp \
           -DCMAKE_VERBOSE_MAKEFILE=ON \
-          -DWarpX_LIB=ON              \
+          -DpyAMReX_IPO=OFF           \
+          -DWarpX_PYTHON=ON           \
+          -DWarpX_PYTHON_IPO=OFF      \
           -DWarpX_MPI=OFF             \
           -DWarpX_OPENPMD=ON          \
           -DWarpX_openpmd_internal=OFF
         cmake --build build_dp -j 2
 
         cmake -S . -B build_sp \
           -DCMAKE_VERBOSE_MAKEFILE=ON  \
-          -DWarpX_LIB=ON               \
+          -DpyAMReX_IPO=OFF            \
+          -DWarpX_PYTHON=ON            \
+          -DWarpX_PYTHON_IPO=OFF       \
           -DWarpX_MPI=OFF              \
           -DWarpX_OPENPMD=ON           \
           -DWarpX_openpmd_internal=OFF \
           -DWarpX_PRECISION=SINGLE
         cmake --build build_sp -j 2
-
-        python3 -m pip install --upgrade pip setuptools wheel
-        PYWARPX_LIB_DIR=$PWD/build_sp/lib python3 -m pip install -v .
+        cmake --build build_sp --target pip_install
 
   build_icpx:
     name: oneAPI ICX SP
@@ -99,20 +103,19 @@ jobs:
         export CXX=$(which icpx)
         export CC=$(which icx)
 
+        python3 -m pip install --upgrade pip
+        python3 -m pip install --upgrade setuptools wheel
+
         cmake -S . -B build_sp         \
           -DCMAKE_CXX_FLAGS_RELEASE="-O1 -DNDEBUG" \
           -DCMAKE_VERBOSE_MAKEFILE=ON  \
           -DWarpX_EB=ON                \
-          -DWarpX_LIB=ON               \
+          -DWarpX_PYTHON=ON            \
           -DWarpX_MPI=OFF              \
           -DWarpX_OPENPMD=ON           \
           -DWarpX_PRECISION=SINGLE
         cmake --build build_sp -j 2
-
-        python3 -m pip install --upgrade pip
-        python3 -m pip install --upgrade setuptools wheel
-        PYWARPX_LIB_DIR=$PWD/build_sp/lib python3 -m pip wheel -v .
-        python3 -m pip install *.whl
+        cmake --build build_sp --target pip_install
 
     - name: run pywarpx
       run: |
@@ -167,7 +170,7 @@ jobs:
           -DCMAKE_VERBOSE_MAKEFILE=ON  \
           -DWarpX_COMPUTE=SYCL         \
           -DWarpX_EB=ON                \
-          -DWarpX_LIB=ON               \
+          -DWarpX_PYTHON=ON            \
           -DWarpX_MPI=OFF              \
           -DWarpX_OPENPMD=ON           \
           -DWarpX_PRECISION=SINGLE
@@ -176,5 +179,5 @@ jobs:
      # Skip this as it will copy the binary artifacts and we are tight on disk space
      #   python3 -m pip install --upgrade pip
      #   python3 -m pip install --upgrade setuptools wheel
-     #   PYWARPX_LIB_DIR=$PWD/build_sp/lib python3 -m pip wheel .
+     #   PYWARPX_LIB_DIR=$PWD/build_sp/lib/site-packages/pywarpx/ python3 -m pip wheel .
      #   python3 -m pip install *.whl

.github/workflows/macos.yml

@@ -13,6 +13,7 @@ jobs:
     if: github.event.pull_request.draft == false
     env:
       CXXFLAGS: "-Werror -Wno-error=pass-failed"
+      HOMEBREW_NO_INSTALLED_DEPENDENTS_CHECK: TRUE
       # For macOS, Ninja is slower than the default:
       #CMAKE_GENERATOR: Ninja
       # setuptools/mp4py work-around, see
@@ -63,6 +64,9 @@ jobs:
           ccache-macos-appleclang-
     - name: build WarpX
       run: |
+        python3 -m pip install --upgrade pip
+        python3 -m pip install --upgrade pip setuptools wheel
+
         cmake -S . -B build_dp         \
           -DCMAKE_VERBOSE_MAKEFILE=ON  \
           -DWarpX_EB=ON                \
@@ -72,17 +76,14 @@ jobs:
 
         cmake -S . -B build_sp         \
           -DCMAKE_VERBOSE_MAKEFILE=ON  \
+          -DPython_EXECUTABLE=$(which python3) \
           -DWarpX_EB=ON                \
-          -DWarpX_LIB=ON               \
+          -DWarpX_PYTHON=ON            \
           -DWarpX_OPENPMD=ON           \
           -DWarpX_openpmd_internal=OFF \
           -DWarpX_PRECISION=SINGLE
         cmake --build build_sp -j 3
-
-        python3 -m pip install --upgrade pip setuptools wheel
-        export WARPX_MPI=ON
-        PYWARPX_LIB_DIR=$PWD/build_sp/lib python3 -m pip wheel .
-        python3 -m pip install *.whl
+        cmake --build build_sp --target pip_install
 
     - name: run pywarpx
       run: |