CMake: ImpactX_FFT

CMakeLists.txt

@@ -66,6 +66,7 @@ impactx_set_default_install_dirs()
 #
 include(CMakeDependentOption)
 option(ImpactX_APP           "Build the ImpactX executable application"     ON)
+option(ImpactX_FFT           "FFT-based solvers (IGF Space Charge, CSR)"    OFF)
 option(ImpactX_MPI           "Multi-node support (message-passing)"         ON)
 option(ImpactX_OPENPMD       "openPMD I/O (HDF5, ADIOS)"                    ON)
 option(ImpactX_PYTHON        "Python bindings"                              OFF)
@@ -106,6 +107,10 @@ option(ImpactX_PYTHON_IPO
     ON
 )
 
+if(ImpactX_FFT)
+    set(ABLASTR_FFT ON CACHE STRING "FFT-based solvers" FORCE)
+endif()
+
 # this defined the variable BUILD_TESTING which is ON by default
 include(CTest)
 
@@ -285,6 +290,9 @@ impactx_set_binary_name()
 
 # Defines #####################################################################
 #
+if(ImpactX_FFT)
+    target_compile_definitions(lib PUBLIC ImpactX_USE_FFT)
+endif()
 if(ImpactX_OPENPMD)
     target_compile_definitions(lib PUBLIC ImpactX_USE_OPENPMD)
 endif()

cmake/ImpactXFunctions.cmake

@@ -401,6 +401,7 @@ function(impactx_print_summary)
     #message("    ASCENT: ${ImpactX_ASCENT}")
     message("    COMPUTE: ${ImpactX_COMPUTE}")
     message("    IPO/LTO: ${ImpactX_IPO}")
+    message("    FFT: ${ImpactX_FFT}")
     message("    LIB: ${LIB_TYPE}")
     message("    MPI: ${ImpactX_MPI}")
     if(MPI)

docs/source/install/cmake.rst

@@ -104,6 +104,7 @@ CMake Option                    Default & Values                             Des
 ``CMAKE_VERBOSE_MAKEFILE``      ON/**OFF**                                   Print all compiler commands to the terminal during build
 ``ImpactX_APP``                 **ON**/OFF                                   Build the ImpactX executable application
 ``ImpactX_COMPUTE``             NOACC/**OMP**/CUDA/SYCL/HIP                  On-node, accelerated computing backend
+``ImpactX_FFT``                 ON/**OFF**                                   FFT-based solvers (IGF Space Charge, CSR, ...)
 ``ImpactX_IPO``                 ON/**OFF**                                   Compile ImpactX with interprocedural optimization (aka LTO)
 ``ImpactX_MPI``                 **ON**/OFF                                   Multi-node support (message-passing)
 ``ImpactX_MPI_THREAD_MULTIPLE`` **ON**/OFF                                   MPI thread-multiple support, i.e. for ``async_io``

docs/source/install/dependencies.rst

@@ -20,6 +20,9 @@ Optional dependencies include:
   - `OpenMP 3.1+ <https://www.openmp.org>`__: for threaded CPU execution or
   - `CUDA Toolkit 11.0+ (11.3+ recommended) <https://developer.nvidia.com/cuda-downloads>`__: for Nvidia GPU support (see `matching host-compilers <https://gist.github.com/ax3l/9489132>`_) or
   - `ROCm 5.2+ (5.5+ recommended) <https://gpuopen.com/learn/amd-lab-notes/amd-lab-notes-rocm-installation-readme/>`__: for AMD GPU support
+- `FFTW3 <http://www.fftw.org>`__: for algorithms such as IGF space charge solver or CSR when running on CPU or with SYCL
+
+  - also needs the ``pkg-config`` tool on Unix
 - `openPMD-api 0.15.2+ <https://github.com/openPMD/openPMD-api>`__: we automatically download and compile a copy of openPMD-api for openPMD I/O support
 
   - see `optional I/O backends <https://github.com/openPMD/openPMD-api#dependencies>`__
@@ -67,7 +70,7 @@ Conda (Linux/macOS/Windows)
 
       .. code-block:: bash
 
-         conda create -n impactx-cpu-mpich-dev -c conda-forge blaspp boost ccache cmake compilers git lapackpp "openpmd-api=*=mpi_mpich*" python numpy pandas quantiphy scipy yt pkg-config matplotlib mamba ninja mpich pip virtualenv
+         conda create -n impactx-cpu-mpich-dev -c conda-forge blaspp boost ccache cmake compilers git lapackpp "openpmd-api=*=mpi_mpich*" python numpy pandas quantiphy scipy yt "fftw=*=mpi_mpich*" pkg-config matplotlib mamba ninja mpich pip virtualenv
          conda activate impactx-cpu-mpich-dev
 
          # compile ImpactX with -DImpactX_MPI=ON
@@ -77,7 +80,7 @@ Conda (Linux/macOS/Windows)
 
       .. code-block:: bash
 
-         conda create -n impactx-cpu-dev -c conda-forge blaspp boost ccache cmake compilers git lapackpp openpmd-api python numpy pandas quantiphy scipy yt pkg-config matplotlib mamba ninja pip virtualenv
+         conda create -n impactx-cpu-dev -c conda-forge blaspp boost ccache cmake compilers git lapackpp openpmd-api python numpy pandas quantiphy scipy yt fftw pkg-config matplotlib mamba ninja pip virtualenv
          conda activate impactx-cpu-dev
 
          # compile ImpactX with -DImpactX_MPI=OFF
@@ -166,11 +169,13 @@ Brew (macOS/Linux)
    brew install adios2      # for openPMD
    brew install ccache
    brew install cmake
+   brew install fftw        # for IGF, CSR
    brew install git
    brew install hdf5-mpi    # for openPMD
    brew install libomp
    brew unlink gcc
    brew link --force libomp
+   brew install pkg-config  # for fftw
    brew install open-mpi
    brew install openblas    # for PSATD in RZ
    brew install openpmd-api # for openPMD
@@ -204,7 +209,7 @@ The `Advanced Package Tool (APT) <https://en.wikipedia.org/wiki/APT_(software)>`
       .. code-block:: bash
 
          sudo apt update
-         sudo apt install build-essential ccache cmake g++ git libhdf5-openmpi-dev libopenmpi-dev pkg-config python3 python3-matplotlib python3-numpy python3-pandas python3-pip python3-scipy python3-venv
+         sudo apt install build-essential ccache cmake g++ git libfftw3-mpi-dev libfftw3-dev libhdf5-openmpi-dev libopenmpi-dev pkg-config python3 python3-matplotlib python3-numpy python3-pandas python3-pip python3-scipy python3-venv
 
          # optional:
          # for CUDA, either install
@@ -220,7 +225,7 @@ The `Advanced Package Tool (APT) <https://en.wikipedia.org/wiki/APT_(software)>`
       .. code-block:: bash
 
          sudo apt update
-         sudo apt install build-essential ccache cmake g++ git libhdf5-dev pkg-config python3 python3-matplotlib python3-numpy python3-pandas python3-pip python3-scipy python3-venv
+         sudo apt install build-essential ccache cmake g++ git libfftw3-dev libfftw3-dev libhdf5-dev pkg-config python3 python3-matplotlib python3-numpy python3-pandas python3-pip python3-scipy python3-venv
 
          # optional:
          # for CUDA, either install

setup.py

@@ -81,6 +81,7 @@ def build_extension(self, ext):
             "-DPython_EXECUTABLE=" + sys.executable,
             ## variants
             "-DImpactX_COMPUTE=" + ImpactX_COMPUTE,
+            "-DImpactX_FFT:BOOL=" + ImpactX_FFT,
             "-DImpactX_MPI:BOOL=" + ImpactX_MPI,
             "-DImpactX_PRECISION=" + ImpactX_PRECISION,
             #'-DImpactX_PARTICLES_PRECISION=' + ImpactX_PARTICLES_PRECISION,
@@ -161,6 +162,7 @@ def build_extension(self, ext):
 # ... build ImpactX libraries with CMake
 #   note: changed default for SHARED, MPI, TESTING and EXAMPLES
 ImpactX_COMPUTE = os.environ.get("IMPACTX_COMPUTE", "OMP")
+ImpactX_FFT = os.environ.get("IMPACTX_FFT", "OFF")
 ImpactX_MPI = os.environ.get("IMPACTX_MPI", "OFF")
 ImpactX_PRECISION = os.environ.get("IMPACTX_PRECISION", "DOUBLE")
 #   already prepared as a list 1;2;3