Merge branch 'development' into dashboard/condense_redundant_code

.github/workflows/dependencies/hip-openmpi.sh

@@ -54,6 +54,7 @@ sudo apt-get install -y --no-install-recommends \
     rocfft-dev      \
     rocprim-dev     \
     rocrand-dev     \
+    rocsparse-dev   \
     hiprand-dev
 
 # activate

.github/workflows/dependencies/nvcc11-openmpi.sh

@@ -35,7 +35,8 @@ sudo apt-get install -y          \
     cuda-nvml-dev-11-3           \
     cuda-nvtx-11-3               \
     libcufft-dev-11-3            \
-    libcurand-dev-11-3
+    libcurand-dev-11-3           \
+    libcusparse-dev-11-3
 sudo ln -s cuda-11.3 /usr/local/cuda
 
 # cmake-easyinstall

.github/workflows/windows.yml

@@ -44,14 +44,25 @@ jobs:
         # https://github.com/actions/runner-images/issues/10004
         CXXFLAGS: "/D_DISABLE_CONSTEXPR_MUTEX_CONSTRUCTOR"
       run: |
-        cmake -S fftw-3.3.10 -B build_fftw       `
+        cmake -S fftw-3.3.10                     `
+              -B build_fftw                      `
               -DBUILD_SHARED_LIBS=OFF            `
               -DBUILD_TESTS=OFF                  `
               -DCMAKE_BUILD_TYPE=RelWithDebInfo  `
               -DDISABLE_FORTRAN=ON
         if(!$?) { Exit $LASTEXITCODE }
         cmake --build build_fftw --config RelWithDebInfo --target install --parallel 4
         if(!$?) { Exit $LASTEXITCODE }
+        cmake -S fftw-3.3.10                     `
+              -B build_fftwf                     `
+              -DBUILD_SHARED_LIBS=OFF            `
+              -DBUILD_TESTS=OFF                  `
+              -DCMAKE_BUILD_TYPE=RelWithDebInfo  `
+              -DDISABLE_FORTRAN=ON               `
+              -DENABLE_FLOAT=ON
+        if(!$?) { Exit $LASTEXITCODE }
+        cmake --build build_fftwf --config RelWithDebInfo --target install --parallel 4
+        if(!$?) { Exit $LASTEXITCODE }
 
         cmake -S hdf5-hdf5-1_12_2 -B build_hdf5  `
               -DCMAKE_BUILD_TYPE=RelWithDebInfo  `
@@ -83,6 +94,7 @@ jobs:
         CXXFLAGS: "/D_DISABLE_CONSTEXPR_MUTEX_CONSTRUCTOR"
         # FFTW3 install prefix path
         FFTW3_DIR: "C:/Program Files (x86)/fftw/"
+        FFTW3f_DIR: "C:/Program Files (x86)/fftw/"
       run: |
         $env:HDF5_DIR = "C:/Program Files/HDF_Group/HDF5/1.12.2/cmake/"
         cmake -S . -B build               `
@@ -159,6 +171,17 @@ jobs:
         if errorlevel 1 exit 1
         cmake --build build_fftw --config Release --target install --parallel 4
         if errorlevel 1 exit 1
+        cmake -S fftw-3.3.10                    ^
+              -B build_fftwf                    ^
+              -G "Ninja"                        ^
+              -DBUILD_TESTS=OFF                 ^
+              -DBUILD_SHARED_LIBS=OFF           ^
+              -DCMAKE_BUILD_TYPE=Release        ^
+              -DDISABLE_FORTRAN=ON              ^
+              -DENABLE_FLOAT=ON
+        if errorlevel 1 exit 1
+        cmake --build build_fftwf --config Release --target install --parallel 4
+        if errorlevel 1 exit 1
 
         cmake -S hdf5-hdf5-1_12_2 -B build_hdf5 ^
             -G "Ninja"                          ^
@@ -191,6 +214,7 @@ jobs:
       env:
         # FFTW3 install prefix path
         FFTW3_DIR: "C:/Program Files (x86)/fftw/"
+        FFTW3f_DIR: "C:/Program Files (x86)/fftw/"
       run: |
         call "C:\Program Files (x86)\Microsoft Visual Studio\2019\Enterprise\vc\Auxiliary\build\vcvarsall.bat" x64
 

CMakeLists.txt

@@ -1,7 +1,7 @@
 # Preamble ####################################################################
 #
 cmake_minimum_required(VERSION 3.24.0)
-project(ImpactX VERSION 24.12)
+project(ImpactX VERSION 25.01)
 
 include(${ImpactX_SOURCE_DIR}/cmake/ImpactXFunctions.cmake)
 
@@ -265,7 +265,7 @@ if(ImpactX_PYTHON)
             impactx_enable_IPO(pyImpactX)
         else()
             # conditionally defined target in pybind11
-            # https://github.com/pybind/pybind11/blob/v2.12.0/tools/pybind11Common.cmake#L397-L403
+            # https://github.com/pybind/pybind11/blob/v2.13.0/tools/pybind11Common.cmake#L407-L413
             target_link_libraries(pyImpactX PRIVATE pybind11::lto)
         endif()
     endif()

cmake/dependencies/ABLASTR.cmake

@@ -58,6 +58,7 @@ macro(find_ablastr)
         set(CMAKE_POLICY_DEFAULT_CMP0077 NEW)
 
         set(ABLASTR_FFT ${ImpactX_FFT} CACHE BOOL "" FORCE)
+        set(AMReX_FFT ${ImpactX_FFT} CACHE BOOL "" FORCE)
 
         set(WarpX_APP OFF CACHE BOOL "" FORCE)
         set(WarpX_LIB OFF CACHE BOOL "" FORCE)
@@ -127,7 +128,7 @@ macro(find_ablastr)
         set(COMPONENT_DIM 3D)
         set(COMPONENT_PRECISION ${ImpactX_PRECISION} P${ImpactX_PRECISION})
 
-        find_package(ABLASTR 24.10 CONFIG REQUIRED COMPONENTS ${COMPONENT_DIM})
+        find_package(ABLASTR 25.01 CONFIG REQUIRED COMPONENTS ${COMPONENT_DIM})
         message(STATUS "ABLASTR: Found version '${ABLASTR_VERSION}'")
     endif()
 
@@ -161,15 +162,15 @@ set(ImpactX_openpmd_src ""
 set(ImpactX_ablastr_repo "https://github.com/ECP-WarpX/WarpX.git"
     CACHE STRING
     "Repository URI to pull and build ABLASTR from if(ImpactX_ablastr_internal)")
-set(ImpactX_ablastr_branch "24.10"
+set(ImpactX_ablastr_branch "25.01"
     CACHE STRING
     "Repository branch for ImpactX_ablastr_repo if(ImpactX_ablastr_internal)")
 
 # AMReX is transitively pulled through ABLASTR
 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 "e64ffef57a7608d1d60f9abe738cc634e9c1272e"
+set(ImpactX_amrex_branch "041f225dc5c97a5e3baf2559046ceabffd75f002"
     CACHE STRING
     "Repository branch for ImpactX_amrex_repo if(ImpactX_amrex_internal)")
 

cmake/dependencies/pyAMReX.cmake

@@ -59,7 +59,7 @@ function(find_pyamrex)
         endif()
     elseif(NOT ImpactX_pyamrex_internal)
         # TODO: MPI control
-        find_package(pyAMReX 24.10 CONFIG REQUIRED)
+        find_package(pyAMReX 25.01 CONFIG REQUIRED)
         message(STATUS "pyAMReX: Found version '${pyAMReX_VERSION}'")
     endif()
 endfunction()
@@ -74,7 +74,7 @@ option(ImpactX_pyamrex_internal "Download & build pyAMReX" ON)
 set(ImpactX_pyamrex_repo "https://github.com/AMReX-Codes/pyamrex.git"
     CACHE STRING
     "Repository URI to pull and build pyamrex from if(ImpactX_pyamrex_internal)")
-set(ImpactX_pyamrex_branch "8742a79c29b7db30c7287c8e33109c0d8be1277a"
+set(ImpactX_pyamrex_branch "25.01"
     CACHE STRING
     "Repository branch for ImpactX_pyamrex_repo if(ImpactX_pyamrex_internal)")
 

cmake/dependencies/pybind11.cmake

@@ -37,7 +37,7 @@ function(find_pybind11)
             mark_as_advanced(FETCHCONTENT_UPDATES_DISCONNECTED_FETCHEDpybind11)
         endif()
     else()
-        find_package(pybind11 2.12.0 CONFIG REQUIRED)
+        find_package(pybind11 2.13.0 CONFIG REQUIRED)
         message(STATUS "pybind11: Found version '${pybind11_VERSION}'")
     endif()
 endfunction()
@@ -52,7 +52,7 @@ option(ImpactX_pybind11_internal "Download & build pybind11" ON)
 set(ImpactX_pybind11_repo "https://github.com/pybind/pybind11.git"
     CACHE STRING
     "Repository URI to pull and build pybind11 from if(ImpactX_pybind11_internal)")
-set(ImpactX_pybind11_branch "v2.12.0"
+set(ImpactX_pybind11_branch "v2.13.6"
     CACHE STRING
     "Repository branch for ImpactX_pybind11_repo if(ImpactX_pybind11_internal)")
 

docs/source/conf.py

@@ -73,9 +73,9 @@
 # built documents.
 #
 # The short X.Y version.
-version = "24.12"
+version = "25.01"
 # The full version, including alpha/beta/rc tags.
-release = "24.12"
+release = "25.01"
 
 # The language for content autogenerated by Sphinx. Refer to documentation
 # for a list of supported languages.

docs/source/install/dependencies.rst

@@ -28,7 +28,7 @@ Optional dependencies include:
   - see `optional I/O backends <https://github.com/openPMD/openPMD-api#dependencies>`__
 - `CCache <https://ccache.dev>`__: to speed up rebuilds (For CUDA support, needs version 3.7.9+ and 4.2+ is recommended)
 - `Ninja <https://ninja-build.org>`__: for faster parallel compiles
-- `Python 3.8+ <https://www.python.org>`__
+- `Python 3.9+ <https://www.python.org>`__
 
   - `mpi4py <https://mpi4py.readthedocs.io>`__
   - `numpy <https://numpy.org>`__

docs/source/usage/parameters.rst

@@ -813,7 +813,7 @@ Overall simulation parameters
 * ``amrex.the_arena_is_managed``  (``0`` or ``1``; default is ``0`` for false)
     When running on GPUs, device memory that is accessed from the host will automatically be transferred with managed memory.
     This is useful for convenience during development, but has sometimes severe performance and memory footprint implications if relied on (and sometimes vendor bugs).
-    For all regular ImpactX operations, we therefore do explicit memory transfers without the need for managed memory and thus changed the AMReX default to false.
+    For all regular ImpactX operations, we therefore do explicit memory transfers without the need for managed memory.
     `Please also see the documentation in AMReX <https://amrex-codes.github.io/amrex/docs_html/GPU.html#inputs-parameters>`__.
 
 * ``amrex.omp_threads``  (``system``, ``nosmt`` or positive integer; default is ``nosmt``)

examples/aperture/input_aperture.in

@@ -35,9 +35,6 @@ collimator.shape = rectangular
 collimator.xmax = 1.0e-3
 collimator.ymax = 1.5e-3
 
-# work-around for https://github.com/ECP-WarpX/impactx/issues/499
-amrex.the_arena_is_managed = 1
-
 
 ###############################################################################
 # Algorithms

examples/aperture/run_absorber.py

@@ -6,13 +6,8 @@
 #
 # -*- coding: utf-8 -*-
 
-import amrex.space3d as amr
 from impactx import ImpactX, distribution, elements
 
-# work-around for https://github.com/ECP-WarpX/impactx/issues/499
-pp_amrex = amr.ParmParse("amrex")
-pp_amrex.add("the_arena_is_managed", 1)
-
 sim = ImpactX()
 
 # set numerical parameters and IO control

examples/aperture/run_aperture.py

@@ -6,13 +6,8 @@
 #
 # -*- coding: utf-8 -*-
 
-import amrex.space3d as amr
 from impactx import ImpactX, distribution, elements
 
-# work-around for https://github.com/ECP-WarpX/impactx/issues/499
-pp_amrex = amr.ParmParse("amrex")
-pp_amrex.add("the_arena_is_managed", 1)
-
 sim = ImpactX()
 
 # set numerical parameters and IO control

examples/aperture/run_aperture_periodic.py

@@ -6,13 +6,8 @@
 #
 # -*- coding: utf-8 -*-
 
-import amrex.space3d as amr
 from impactx import ImpactX, distribution, elements
 
-# work-around for https://github.com/ECP-WarpX/impactx/issues/499
-pp_amrex = amr.ParmParse("amrex")
-pp_amrex.add("the_arena_is_managed", 1)
-
 sim = ImpactX()
 
 # set numerical parameters and IO control

setup.py

@@ -230,7 +230,7 @@ def build_extension(self, ext):
 setup(
     name="impactx",
     # note PEP-440 syntax: x.y.zaN but x.y.z.devN
-    version="24.12",
+    version="25.01",
     packages=["impactx"],
     # Python sources:
     package_dir={"": "src/python"},
@@ -260,7 +260,7 @@ def build_extension(self, ext):
     ext_modules=cxx_modules,
     cmdclass=cmdclass,
     zip_safe=False,
-    python_requires=">=3.8",
+    python_requires=">=3.8",  # left for CI, truly ">=3.9"
     tests_require=["numpy", "pandas", "pytest", "scipy"],
     install_requires=install_requires,
     # cmdclass={'test': PyTest},
@@ -278,10 +278,11 @@ def build_extension(self, ext):
         "Topic :: Software Development :: Libraries",
         "Programming Language :: C++",
         "Programming Language :: Python :: 3",
-        "Programming Language :: Python :: 3.8",
         "Programming Language :: Python :: 3.9",
         "Programming Language :: Python :: 3.10",
         "Programming Language :: Python :: 3.11",
+        "Programming Language :: Python :: 3.12",
+        "Programming Language :: Python :: 3.13",
         (
             "License :: OSI Approved :: " "BSD License"
         ),  # TODO: use real SPDX: BSD-3-Clause-LBNL

src/particles/spacecharge/PoissonSolve.cpp

@@ -80,6 +80,7 @@ namespace impactx::spacecharge
             sorted_phi.emplace_back(&phi[lev]);
         }
 
+        const bool is_igf_2d = false;
         const bool do_single_precision_comms = false;
         const bool eb_enabled = false;
         ablastr::fields::computePhi(
@@ -95,6 +96,7 @@ namespace impactx::spacecharge
             pc.GetParGDB()->boxArray(),
             ablastr::utils::enums::GridType::Collocated,
             is_solver_igf_on_lev0,
+            is_igf_2d,
             eb_enabled,
             do_single_precision_comms,
             rel_ref_ratio

src/python/impactx/__init__.pyi

@@ -79,7 +79,7 @@ __author__: str = (
     "Axel Huebl, Chad Mitchell, Ryan Sandberg, Marco Garten, Ji Qiang, et al."
 )
 __license__: str = "BSD-3-Clause-LBNL"
-__version__: str = "24.12"
+__version__: str = "25.01"
 s: impactx_pybind.CoordSystem  # value = <CoordSystem.s: 0>
 t: impactx_pybind.CoordSystem  # value = <CoordSystem.t: 1>
 cxx = impactx_pybind

src/python/impactx/impactx_pybind/__init__.pyi

@@ -46,6 +46,8 @@ class Config:
     have_gpu: typing.ClassVar[bool] = False
     have_mpi: typing.ClassVar[bool] = True
     have_omp: typing.ClassVar[bool] = True
+    @staticmethod
+    def _pybind11_conduit_v1_(*args, **kwargs): ...
 
 class CoordSystem:
     """
@@ -61,6 +63,8 @@ class CoordSystem:
     ]  # value = {'s': <CoordSystem.s: 0>, 't': <CoordSystem.t: 1>}
     s: typing.ClassVar[CoordSystem]  # value = <CoordSystem.s: 0>
     t: typing.ClassVar[CoordSystem]  # value = <CoordSystem.t: 1>
+    @staticmethod
+    def _pybind11_conduit_v1_(*args, **kwargs): ...
     def __eq__(self, other: typing.Any) -> bool: ...
     def __getstate__(self) -> int: ...
     def __hash__(self) -> int: ...
@@ -77,6 +81,8 @@ class CoordSystem:
     def value(self) -> int: ...
 
 class ImpactX:
+    @staticmethod
+    def _pybind11_conduit_v1_(*args, **kwargs): ...
     def DistributionMap(
         self, lev: int
     ) -> amrex.space3d.amrex_3d_pybind.DistributionMapping: ...
@@ -371,6 +377,8 @@ class ImpactX:
 class ImpactXParConstIter(
     amrex.space3d.amrex_3d_pybind.ParConstIter_pureSoA_8_0_default
 ):
+    @staticmethod
+    def _pybind11_conduit_v1_(*args, **kwargs): ...
     @typing.overload
     def __init__(
         self,
@@ -399,6 +407,8 @@ class ImpactXParConstIter(
         """
 
 class ImpactXParIter(amrex.space3d.amrex_3d_pybind.ParIter_pureSoA_8_0_default):
+    @staticmethod
+    def _pybind11_conduit_v1_(*args, **kwargs): ...
     @typing.overload
     def __init__(
         self,
@@ -431,6 +441,8 @@ class ImpactXParticleContainer(
 ):
     const_iterator = ImpactXParConstIter
     iterator = ImpactXParIter
+    @staticmethod
+    def _pybind11_conduit_v1_(*args, **kwargs): ...
     def add_n_particles(
         self,
         x: amrex.space3d.amrex_3d_pybind.PODVector_real_std,
@@ -525,6 +537,8 @@ class ImpactXParticleContainer(
         """
 
 class RefPart:
+    @staticmethod
+    def _pybind11_conduit_v1_(*args, **kwargs): ...
     @staticmethod
     def load_file(ref: RefPart, madx_file):
         """
@@ -720,6 +734,6 @@ __author__: str = (
     "Axel Huebl, Chad Mitchell, Ryan Sandberg, Marco Garten, Ji Qiang, et al."
 )
 __license__: str = "BSD-3-Clause-LBNL"
-__version__: str = "24.12"
+__version__: str = "25.01"
 s: CoordSystem  # value = <CoordSystem.s: 0>
 t: CoordSystem  # value = <CoordSystem.t: 1>