CI: Windows

.github/workflows/windows.yml

@@ -0,0 +1,102 @@
+name: 🪟 Windows
+
+on: [push, pull_request]
+
+concurrency:
+  group: ${{ github.ref }}-${{ github.head_ref }}-windows
+  cancel-in-progress: true
+
+jobs:
+  build_win_msvc:
+    name: MSVC C++17 w/o MPI
+    runs-on: windows-latest
+    if: github.event.pull_request.draft == false
+    steps:
+    - uses: actions/checkout@v2
+    - uses: actions/setup-python@v2
+      name: Install Python
+      with:
+        python-version: '3.x'
+    - name: CCache Cache
+      uses: actions/cache@v2
+      # - once stored under a key, they become immutable (even if local cache path content changes)
+      # - for a refresh the key has to change, e.g., hash of a tracked file in the key
+      with:
+        path: |
+          ~/.ccache
+          ~/.cache/ccache
+        key: ccache-windows-winmsvc-${{ hashFiles('.github/workflows/windows.yml') }}-${{ hashFiles('cmake/dependencies/ABLASTR.cmake') }}
+        restore-keys: |
+          ccache-windows-winmsvc-${{ hashFiles('.github/workflows/windows.yml') }}-
+          ccache-windows-winmsvc-
+    - name: Build & Install
+      run: |
+        python3 -m pip install -U pip setuptools wheel pytest
+        python3 -m pip install -r requirements.txt
+        python3 -m pip install -r examples/requirements.txt
+
+        cmake -S . -B build               `
+              -DBUILD_SHARED_LIBS=OFF        `
+              -DCMAKE_BUILD_TYPE=RelWithDebInfo    `
+              -DCMAKE_VERBOSE_MAKEFILE=ON `
+              -DImpactX_COMPUTE=NOACC     `
+              -DImpactX_MPI=OFF           `
+              -DImpactX_PYTHON=ON
+        if(!$?) { Exit $LASTEXITCODE }
+        cmake --build build --config RelWithDebInfo --parallel 2
+        if(!$?) { Exit $LASTEXITCODE }
+        cmake --build build --config RelWithDebInfo --target pip_install
+        if(!$?) { Exit $LASTEXITCODE }
+
+        ctest --test-dir build --build-config RelWithDebInfo --output-on-failure -E "(AMReX|py|pytest|analysis|plot)"
+        if(!$?) { Exit $LASTEXITCODE }
+
+  build_win_clang:
+    name: Clang C++17 w/ OMP w/o MPI
+    runs-on: windows-2019
+    if: github.event.pull_request.draft == false
+    steps:
+    - uses: actions/checkout@v2
+    - uses: actions/setup-python@v2
+      name: Install Python
+      with:
+        python-version: '3.x'
+    - name: CCache Cache
+      uses: actions/cache@v2
+      # - once stored under a key, they become immutable (even if local cache path content changes)
+      # - for a refresh the key has to change, e.g., hash of a tracked file in the key
+      with:
+        path: |
+          ~/.ccache
+          ~/.cache/ccache
+        key: ccache-windows-winclang-${{ hashFiles('.github/workflows/windows.yml') }}-${{ hashFiles('cmake/dependencies/ABLASTR.cmake') }}
+        restore-keys: |
+          ccache-windows-winclang-${{ hashFiles('.github/workflows/windows.yml') }}-
+          ccache-windows-winclang-
+    - uses: seanmiddleditch/gha-setup-ninja@master
+    - name: Build & Install
+      shell: cmd
+      run: |
+        python3 -m pip install -U pip setuptools wheel pytest
+        python3 -m pip install -r requirements.txt
+        python3 -m pip install -r examples/requirements.txt
+
+        call "C:\Program Files (x86)\Microsoft Visual Studio\2019\Enterprise\vc\Auxiliary\build\vcvarsall.bat" x64
+        cmake -S . -B build   ^
+              -G "Ninja"      ^
+              -DCMAKE_C_COMPILER=clang-cl   ^
+              -DCMAKE_CXX_COMPILER=clang-cl ^
+              -DBUILD_SHARED_LIBS=OFF           ^
+              -DCMAKE_BUILD_TYPE=Release    ^
+              -DCMAKE_VERBOSE_MAKEFILE=ON   ^
+              -DImpactX_COMPUTE=OMP         ^
+              -DImpactX_MPI=OFF             ^
+              -DImpactX_PYTHON=ON
+        if errorlevel 1 exit 1
+        cmake --build build --config Release --parallel 2
+        if errorlevel 1 exit 1
+        cmake --build build --config Release --target pip_install
+        if errorlevel 1 exit 1
+
+        ctest --test-dir build --build-config Release --output-on-failure -E "(AMReX|py|pytest|analysis|plot)"
+        if errorlevel 1 exit 1

CMakeLists.txt

@@ -374,10 +374,10 @@ if(ImpactX_PYTHON)
 
     # build the wheel by re-using the lib library we build
     add_custom_target(${ImpactX_CUSTOM_TARGET_PREFIX}pip_wheel
-        ${CMAKE_COMMAND} -E rm -f "impactx*.whl"
+        ${CMAKE_COMMAND} -E rm -f -r impactx-whl
         COMMAND
             ${CMAKE_COMMAND} -E env PYIMPACTX_LIBDIR=$<TARGET_FILE_DIR:pyImpactX>
-                ${Python_EXECUTABLE} -m pip wheel -v --no-build-isolation ${ImpactX_SOURCE_DIR}
+                ${Python_EXECUTABLE} -m pip wheel -v --no-build-isolation --no-deps --wheel-dir=impactx-whl ${ImpactX_SOURCE_DIR}
         WORKING_DIRECTORY
             ${ImpactX_BINARY_DIR}
         DEPENDS
@@ -408,7 +408,7 @@ if(ImpactX_PYTHON)
     # because otherwise pip would also force reinstall all dependencies.
     add_custom_target(${ImpactX_CUSTOM_TARGET_PREFIX}pip_install
         ${CMAKE_COMMAND} -E env IMPACTX_MPI=${ImpactX_MPI}
-            ${Python_EXECUTABLE} -m pip install --force-reinstall --no-deps ${PYINSTALLOPTIONS} "impactx*.whl"
+            ${Python_EXECUTABLE} -m pip install --force-reinstall --no-index --no-deps ${PYINSTALLOPTIONS} --find-links=impactx-whl impactx
         WORKING_DIRECTORY
             ${ImpactX_BINARY_DIR}
         DEPENDS

MANIFEST.in

@@ -1,15 +1,14 @@
-include README.md LICENSE
+include README.md LICENSE.txt
 include CODE_OF_CONDUCT.rst CONTRIBUTING.rst
 include pyproject.toml
-include requirements.txt
+include requirements.txt requirements_mpi.txt
 
 global-include CMakeLists.txt *.cmake *.in
 
 recursive-include cmake *
 recursive-include docs *
 recursive-include etc *
 recursive-include examples *
-recursive-include include *
 recursive-include src *
 recursive-include tests *
 

README.md

@@ -179,27 +179,27 @@ spack add fftw
 spack add hdf5          # for openPMD
 spack add mpi
 spack add pkgconfig     # for fftw
+spack add python
+spack add py-pip
+spack add py-setuptools
+spack add py-wheel
 
 # OpenMP support on macOS
 [[ $OSTYPE == 'darwin'* ]] && spack add llvm-openmp
 
-# optional:
-# spack add cuda
-# spack add python
-# spack add py-pip
-# spack add py-pandas
-# spack add py-numpy
-# spack add py-scipy
+# optional: Linux only
+#spack add cuda
 
 spack install
+python3 -m pip install matplotlib numpy openpmd-api pandas pytest scipy
 ```
 
-(in new terminals, re-activate the environment with `spack env activate impactx-dev` again)
+In new terminals, re-activate the environment with `spack env activate impactx-dev` again.
 
 ### Conda (Linux/macOS/Windows)
 
 ```bash
-conda create -n impactx-dev -c conda-forge adios2 ccache cmake compilers git hdf5 fftw matplotlib ninja numpy pandas scipy
+conda create -n impactx-dev -c conda-forge adios2 ccache cmake compilers git hdf5 fftw matplotlib ninja numpy pandas pytest scipy
 conda activate impactx-dev
 
 # compile with -DImpactX_MPI=OFF
@@ -294,8 +294,7 @@ Examples:
 
 In order to run our tests, you need to have a few Python packages installed:
 ```console
-python3 -m pip install -U pip setuptools wheel
-python3 -m pip install -r requirements.txt
+python3 -m pip install -U pip setuptools wheel pytest
 python3 -m pip install -r examples/requirements.txt
 ```
 

cmake/dependencies/ABLASTR.cmake

@@ -142,7 +142,7 @@ set(ImpactX_ablastr_branch "22.08"
 set(ImpactX_amrex_repo "https://github.com/AMReX-Codes/amrex.git"
     CACHE STRING
     "Repository URI to pull and build AMReX from if(ImpactX_amrex_internal)")
-set(ImpactX_amrex_branch "1bda173b489024d5f4ec79627f3f612c350e521f"
+set(ImpactX_amrex_branch "bd5f6a9f6a1a3a66c51eefd7950432d3bf3319a1"
     CACHE STRING
     "Repository branch for ImpactX_amrex_repo if(ImpactX_amrex_internal)")
 

docs/source/developers/testing.rst

@@ -12,8 +12,8 @@ In order to run our tests, you need to have a few :ref:`Python packages installe
 
 .. code-block:: sh
 
-   python3 -m pip install -U pip setuptools wheel
-   python3 -m pip install -r requirements.txt
+   python3 -m pip install -U pip setuptools wheel pytest
+   python3 -m pip install -r examples/requirements.txt
 
 Run
 ---

docs/source/install/cmake.rst

@@ -76,7 +76,8 @@ Compile including Python Bindings
 
    .. code-block:: bash
 
-      python3 -m pip install -U pip setuptools wheel
+      python3 -m pip install -U pip setuptools wheel pytest
+      python3 -m pip install -r examples/requirements.txt
 
 For PICMI Python bindings, add a configure option and call our ``pip_install`` *CMake target*:
 

docs/source/install/dependencies.rst

@@ -44,28 +44,21 @@ Spack (macOS/Linux)
    spack add hdf5          # for openPMD
    spack add mpi
    spack add pkgconfig     # for fftw
+   spack add python
+   spack add py-pip
+   spack add py-setuptools
+   spack add py-wheel
 
    # OpenMP support on macOS
    [[ $OSTYPE == 'darwin'* ]] && spack add llvm-openmp
 
-   # optional:
-   # spack add cuda
-   # spack add python
-   # spack add py-pip
-   # spack add py-pip
-   # spack add py-pandas
-   # spack add py-numpy
-   # spack add py-scipy
+   # optional: Linux only
+   #spack add cuda
 
    spack install
+   python3 -m pip install matplotlib numpy openpmd-api pandas pytest scipy
 
-(in new terminals, re-activate the environment with ``spack env activate impactx-dev`` again)
-
-If you also want to run runtime tests and added Python (``spack add python`` and ``spack add py-pip``) above, install also these additional Python packages in the active Spack environment:
-
-.. code-block:: bash
-
-   python3 -m pip install matplotlib yt scipy numpy openpmd-api
+In new terminals, re-activate the environment with ``spack env activate impactx-dev`` again.
 
 
 Brew (macOS/Linux)

examples/CMakeLists.txt

@@ -22,7 +22,7 @@ function(impactx_test_set_pythonpath test_name)
     if(WIN32)
         string(REPLACE ";" "\\;" WIN_PYTHONPATH "$ENV{PYTHONPATH}")
         string(REGEX REPLACE "/" "\\\\" WIN_PYTHON_OUTPUT_DIRECTORY ${CMAKE_PYTHON_OUTPUT_DIRECTORY})
-        set_tests_properties(TEST ${test_name}
+        set_tests_properties(${test_name}
             PROPERTIES ENVIRONMENT "PYTHONPATH=${WIN_PYTHON_OUTPUT_DIRECTORY}\;${WIN_PYTHONPATH}"
         )
     else()

setup.py

@@ -125,13 +125,18 @@ def build_extension(self, ext):
         #if ImpactX_pyamrex_src:
         #    cmake_args.append('-DImpactX_pyamrex_src=' + ImpactX_pyamrex_src)
 
+        if CMAKE_INTERPROCEDURAL_OPTIMIZATION is not None:
+            cmake_args.append('-DCMAKE_INTERPROCEDURAL_OPTIMIZATION=' +
+                              CMAKE_INTERPROCEDURAL_OPTIMIZATION)
         if sys.platform == "darwin":
             cmake_args.append('-DCMAKE_INSTALL_RPATH=@loader_path')
         else:
             # values: linux*, aix, freebsd, ...
             #   just as well win32 & cygwin (although Windows has no RPaths)
             cmake_args.append('-DCMAKE_INSTALL_RPATH=$ORIGIN')
 
+        cmake_args += extra_cmake_args
+
         cfg = 'Debug' if self.debug else 'Release'
         build_args = ['--config', cfg]
 
@@ -186,6 +191,8 @@ def build_extension(self, ext):
 ImpactX_SPACEDIM = os.environ.get('IMPACTX_SPACEDIM', '3')
 BUILD_SHARED_LIBS = os.environ.get('IMPACTX_BUILD_SHARED_LIBS',
                                    'OFF')
+CMAKE_INTERPROCEDURAL_OPTIMIZATION = os.environ.get(
+    'CMAKE_INTERPROCEDURAL_OPTIMIZATION', None)
 # CMake dependency control (developers & package managers)
 ImpactX_amrex_src = os.environ.get('IMPACTX_AMREX_SRC')
 ImpactX_amrex_internal = os.environ.get('IMPACTX_AMREX_INTERNAL', 'ON')
@@ -198,6 +205,16 @@ def build_extension(self, ext):
 #    'https://github.com/AMReX-Codes/pyamrex.git')
 #ImpactX_pyamrex_branch = os.environ.get('IMPACTX_PYAMREX_BRANCH', 'development')
 
+# extra CMake arguments
+extra_cmake_args = []
+for k, v in os.environ.items():
+    extra_cmake_args_prefix = "IMPACTX_CMAKE_"
+    if k.startswith(extra_cmake_args_prefix) and \
+       len(k) > len(extra_cmake_args_prefix):
+        extra_cmake_args.append("-D{0}={1}".format(
+            k[len(extra_cmake_args_prefix):],
+            v))
+
 # https://cmake.org/cmake/help/v3.0/command/if.html
 if ImpactX_MPI.upper() in ['1', 'ON', 'TRUE', 'YES']:
     ImpactX_MPI = "ON"