Add heFFTe

Add the heFFTe library, a Highly Efficient FFT for Exascale.

recipes/heffte/49.patch

@@ -0,0 +1,30 @@
+From e85d3df03ca8c226364df61e3dbeee6ccddd5fe1 Mon Sep 17 00:00:00 2001
+From: Axel Huebl <[email protected]>
+Date: Tue, 11 Jun 2024 17:15:37 -0700
+Subject: [PATCH] Fix AppleClang: Stock `aligned_alloc`
+
+Compiling heFFTe 2.4.0 with AppleClang 16.0.6 on macOS 13.4 raises:
+```
+include/stock_fft/heffte_stock_allocator.h:43:46: error: use of undeclared identifier 'aligned_alloc'
+            return reinterpret_cast<pointer>(aligned_alloc(alignof(F), n*sizeof(F)));
+                                             ^
+```
+
+This adds the missing include and uses the C++ variant of the
+function.
+---
+ include/stock_fft/heffte_stock_allocator.h | 1 +
+ 1 file changed, 1 insertion(+)
+
+diff --git a/include/stock_fft/heffte_stock_allocator.h b/include/stock_fft/heffte_stock_allocator.h
+index d8d69df..6123513 100644
+--- a/include/stock_fft/heffte_stock_allocator.h
++++ b/include/stock_fft/heffte_stock_allocator.h
+@@ -2,6 +2,7 @@
+ #define HEFFTE_STOCK_ALLOCATOR_H
+
+ #include <memory>
++#include <stdlib.h>
+ #include <vector>
+
+ #include "heffte_stock_complex.h"

recipes/heffte/bld.bat

@@ -0,0 +1,37 @@
+@echo on
+
+:: configure
+cmake ^
+    -S %SRC_DIR% -B build           ^
+    %CMAKE_ARGS%                    ^
+    -G "Ninja"                      ^
+    -DBUILD_SHARED_LIBS=ON          ^
+    -DCMAKE_BUILD_TYPE=Release      ^
+    -DCMAKE_C_COMPILER=clang-cl     ^
+    -DCMAKE_CXX_COMPILER=clang-cl   ^
+    -DCMAKE_INSTALL_LIBDIR=lib      ^
+    -DCMAKE_INSTALL_PREFIX=%LIBRARY_PREFIX% ^
+    -DCMAKE_LINKER=lld-link         ^
+    -DCMAKE_NM=llvm-nm              ^
+    -DCMAKE_VERBOSE_MAKEFILE=ON     ^
+    -DHeffte_DISABLE_GPU_AWARE_MPI=ON ^
+    -DHeffte_ENABLE_AVX=ON            ^
+    -DHeffte_ENABLE_AVX512=OFF        ^
+    -DHeffte_ENABLE_FFTW=ON           ^
+    -DHeffte_ENABLE_CUDA=OFF          ^
+    -DHeffte_ENABLE_ROCM=OFF          ^
+    -DHeffte_ENABLE_ONEAPI=OFF        ^
+    -DHeffte_ENABLE_MKL=OFF           ^
+    -DHeffte_ENABLE_DOXYGEN=OFF       ^
+    -DHeffte_SEQUENTIAL_TESTING=ON    ^
+    -DHeffte_ENABLE_TESTING=ON        ^
+    -DHeffte_ENABLE_TRACING=OFF       ^
+    -DHeffte_ENABLE_PYTHON=OFF        ^
+    -DHeffte_ENABLE_FORTRAN=OFF       ^
+    -DHeffte_ENABLE_SWIG=OFF          ^
+    -DHeffte_ENABLE_MAGMA=OFF
+if errorlevel 1 exit 1
+
+:: build, pack & install
+cmake --build build --config Release --parallel %CPU_COUNT% --target install
+if errorlevel 1 exit 1

recipes/heffte/build.sh

@@ -0,0 +1,41 @@
+#!/usr/bin/env bash
+
+# avoid side-injection of -std=c++14 flag in some toolchains
+if [[ ${CXXFLAGS} == *"-std=c++14"* ]]; then
+    echo "14 -> 17"
+    export CXXFLAGS="${CXXFLAGS} -std=c++17"
+fi
+# Darwin modern C++
+#   https://conda-forge.org/docs/maintainer/knowledge_base.html#newer-c-features-with-old-sdk
+if [[ ${target_platform} =~ osx.* ]]; then
+    export CXXFLAGS="${CXXFLAGS} -D_LIBCPP_DISABLE_AVAILABILITY"
+fi
+
+# configure
+cmake \
+    -S ${SRC_DIR} -B build            \
+    ${CMAKE_ARGS}                     \
+    -DBUILD_SHARED_LIBS=ON            \
+    -DCMAKE_BUILD_TYPE=Release        \
+    -DCMAKE_VERBOSE_MAKEFILE=ON       \
+    -DCMAKE_INSTALL_LIBDIR=lib        \
+    -DCMAKE_INSTALL_PREFIX=${PREFIX}  \
+    -DHeffte_DISABLE_GPU_AWARE_MPI=ON \
+    -DHeffte_ENABLE_AVX=ON            \
+    -DHeffte_ENABLE_AVX512=OFF        \
+    -DHeffte_ENABLE_FFTW=ON           \
+    -DHeffte_ENABLE_CUDA=OFF          \
+    -DHeffte_ENABLE_ROCM=OFF          \
+    -DHeffte_ENABLE_ONEAPI=OFF        \
+    -DHeffte_ENABLE_MKL=OFF           \
+    -DHeffte_ENABLE_DOXYGEN=OFF       \
+    -DHeffte_SEQUENTIAL_TESTING=ON    \
+    -DHeffte_ENABLE_TESTING=ON        \
+    -DHeffte_ENABLE_TRACING=OFF       \
+    -DHeffte_ENABLE_PYTHON=OFF        \
+    -DHeffte_ENABLE_FORTRAN=OFF       \
+    -DHeffte_ENABLE_SWIG=OFF          \
+    -DHeffte_ENABLE_MAGMA=OFF
+
+# build, pack & install
+cmake --build build --parallel ${CPU_COUNT} --target install

recipes/heffte/conda_build_config.yaml

@@ -0,0 +1,8 @@
+mpi:
+  - mpich  # [unix]
+  - openmpi  # [unix]
+# macOS aligned_alloc support
+#   https://github.com/icl-utk-edu/heffte/pull/49
+#   https://stackoverflow.com/questions/44841574/aligned-alloc-not-found-for-clang/76984907#76984907
+MACOSX_SDK_VERSION:        # [osx and x86_64]
+  - "10.15"                # [osx and x86_64]

recipes/heffte/meta.yaml

@@ -0,0 +1,75 @@
+{% set name = "heFFTe" %}
+{% set version = "2.4.0" %}
+{% set build = 0 %}
+
+package:
+  name: {{ name|lower }}
+  version: {{ version }}
+
+source:
+  url: https://github.com/icl-utk-edu/heffte/archive/refs/tags/v{{ version }}.tar.gz
+  sha256: 02310fb4f9688df02f7181667e61c3adb7e38baf79611d80919d47452ff7881d
+  patches:
+    # macOS build error in aligned_alloc
+    # https://github.com/icl-utk-edu/heffte/pull/49
+    - 49.patch
+
+build:
+  number: {{ build }}
+
+  # heFFTe depends on MPI, but we do not yet build a Windows-MPI that we trust
+  skip: true  # [win]
+
+  # add build string so packages can depend on specific mpi variants
+  # dependencies:
+  # `pkg * mpi_mpich_*` for MPICH
+  # `pkg * mpi_openmpi_*` for OpenMPI
+  # `pkg * mpi_*` for any mpi
+  {% set mpi_prefix = "mpi_" + mpi %}
+  string: {{ mpi_prefix }}_h{{ PKG_HASH }}_{{ build }}
+
+requirements:
+  build:
+    - {{ compiler("c") }}
+    - {{ compiler("cxx") }}
+    - {{ stdlib("c") }}
+    - cmake
+    - make  # [unix]
+    - pkgconfig
+  host:
+    - fftw * mpi_{{ mpi }}_*
+    - {{ mpi }}
+  run:
+    - fftw * mpi_{{ mpi }}_*
+    - {{ mpi }}
+
+test:
+  requires:
+    - {{ compiler("c") }}
+    - {{ compiler("cxx") }}
+    - {{ stdlib("c") }}
+    - cmake
+    - make  # [unix]
+    - pkgconfig
+
+about:
+  home: https://icl.utk.edu/publications/fft-ecp-fast-fourier-transform
+  license: BSD-3-Clause
+  license_family: BSD
+  license_file: LICENSE
+  summary: Distributed fast-Fourier transforms in on a heterogeneous systems.
+
+  description: |
+    The Highly Efficient FFT for Exascale (heFFTe) library is being developed
+    as part of the Exascale Computing Project (ECP), which is a joint project
+    of the U.S. Department of Energy's Office of Science and National Nuclear
+    Security Administration (NNSA). HeFFTe delivers algorithms for distributed
+    fast-Fourier transforms in on a heterogeneous systems, targeting the
+    upcoming exascale machines.
+
+  doc_url: https://icl-utk-edu.github.io/heffte/
+  dev_url: https://github.com/icl-utk-edu/heffte
+
+extra:
+  recipe-maintainers:
+    - ax3l

recipes/heffte/run_test.bat

@@ -0,0 +1,12 @@
+@echo on
+
+set "OMP_NUM_THREADS=2"
+
+cmake -S %PREFIX%\share\heffte\testing -B build_test
+if errorlevel 1 exit 1
+
+cmake --build build_test
+if errorlevel 1 exit 1
+
+cmake --build build_test --target test
+if errorlevel 1 exit 1

recipes/heffte/run_test.sh

@@ -0,0 +1,9 @@
+#!/usr/bin/env bash
+
+set -eu -x -o pipefail
+
+export OMP_NUM_THREADS=2
+
+cmake -S ${PREFIX}/share/heffte/testing -B build_test
+cmake --build build_test
+cmake --build build_test --target test