diff --git a/.github/workflows/build_and_test.yaml b/.github/workflows/build_and_test.yaml index 77abfde8..f3162d0e 100644 --- a/.github/workflows/build_and_test.yaml +++ b/.github/workflows/build_and_test.yaml @@ -33,7 +33,7 @@ jobs: uses: actions/checkout@v7 - name: Set up pixi - uses: prefix-dev/setup-pixi@v0.10.0 + uses: prefix-dev/setup-pixi@v0.10.1 with: environments: dashboard diff --git a/.github/workflows/pixi_build.yaml b/.github/workflows/pixi_build.yaml index 765a2729..e5eb1a3b 100644 --- a/.github/workflows/pixi_build.yaml +++ b/.github/workflows/pixi_build.yaml @@ -23,7 +23,7 @@ jobs: uses: actions/checkout@v7 - name: Set up pixi - uses: prefix-dev/setup-pixi@v0.10.0 + uses: prefix-dev/setup-pixi@v0.10.1 with: environments: default diff --git a/.github/workflows/test_pyfans.yaml b/.github/workflows/test_pyfans.yaml index d9f1b052..28f8365e 100644 --- a/.github/workflows/test_pyfans.yaml +++ b/.github/workflows/test_pyfans.yaml @@ -24,9 +24,6 @@ jobs: - name: Checkout repository uses: actions/checkout@v7 - - name: Generate build directory - run: mkdir -p ${{ env.FANS_BUILD_DIR }} - - name: Install dependencies run: | apt update @@ -43,11 +40,17 @@ jobs: . .venv/bin/activate pip install micro-manager-precice - - name: Configure - working-directory: ${{ env.FANS_BUILD_DIR }} + - name: Build and install FANS + run: | + cmake -S . -B ${{ env.FANS_BUILD_DIR }} + cmake --build ${{ env.FANS_BUILD_DIR }} -j + cmake --install ${{ env.FANS_BUILD_DIR }} + ldconfig + + - name: Install pyfans against it run: | - cmake .. -DFANS_LIBRARY_FOR_MICRO_MANAGER=ON - make + . .venv/bin/activate + pip install ./pyfans - name: Run a dummy macro-micro coupling test run: | diff --git a/CHANGELOG.md b/CHANGELOG.md index 532ac573..13c6e3b0 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -1,5 +1,9 @@ # FANS Changelog +## v0.8.1 + +- Build pyFANS as a standalone nanobind project against an installed FANS, so FANS itself no longer depends on Python [#155](https://github.com/DataAnalyticsEngineering/FANS/pull/155) + ## v0.8.0 - Make PyFANS installable (also with pixi build) [#152](https://github.com/DataAnalyticsEngineering/FANS/pull/152) diff --git a/CMakeLists.txt b/CMakeLists.txt index f271e287..4641c0ce 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -5,7 +5,7 @@ cmake_minimum_required(VERSION 3.21) # ############################################################################## project(FANS - VERSION 0.8.0 + VERSION 0.8.1 LANGUAGES C CXX ) @@ -90,21 +90,12 @@ endif () set(HDF5_PREFER_PARALLEL TRUE) find_package(HDF5 REQUIRED COMPONENTS C CXX) - find_package(Eigen3 REQUIRED) - find_package(MPI REQUIRED) - find_package(FFTW3 REQUIRED COMPONENTS DOUBLE MPI) - -option(FANS_LIBRARY_FOR_MICRO_MANAGER "Building FANS as a library to be used by the Micro Manager." OFF) - -if (FANS_LIBRARY_FOR_MICRO_MANAGER) - set(PYBIND11_FINDPYTHON ON) - find_package(pybind11 CONFIG REQUIRED) -endif() find_package(nlohmann_json REQUIRED) find_package(spdlog CONFIG REQUIRED) + # ############################################################################## # TARGETS # ############################################################################## @@ -133,42 +124,16 @@ add_custom_command( COMMENT "Create a symlink for FANS executable to ${CMAKE_CURRENT_SOURCE_DIR}/test/" ) -if (FANS_LIBRARY_FOR_MICRO_MANAGER) - add_subdirectory(pyfans) -endif () - # ############################################################################## # HEADERS # ############################################################################## target_include_directories(FANS_FANS PUBLIC $) -# TODO: when creating a shared library in the future, maybe create one single -# FANS.h header that consuming projects can use -set_property(TARGET FANS_FANS PROPERTY PUBLIC_HEADER - include/general.h - include/logging.h - include/matmodel.h - include/LargeStrainMechModel.h - include/MaterialManager.h - include/reader.h - include/solverCG.h - include/solverFP.h - include/solver.h - include/setup.h - include/mixedBCs.h - - include/material_models/thermal/LinearThermal.h - include/material_models/thermal/GBDiffusion.h - - include/material_models/small_strain/LinearElastic.h - include/material_models/small_strain/PseudoPlastic.h - include/material_models/small_strain/J2Plasticity.h - include/material_models/small_strain/J2PlasticityNew.h - - include/material_models/large_strain/SaintVenantKirchhoff.h - include/material_models/large_strain/CompressibleNeoHookean.h - include/material_models/large_strain/FiniteStrainJ2Plasticity.h +install( + DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}/include/ + DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/FANS + FILES_MATCHING PATTERN "*.h" ) # version.h is generated and added to the build include directory @@ -182,13 +147,8 @@ target_include_directories(FANS_main PRIVATE "${PROJECT_BINARY_DIR}/include") # SOURCES # ############################################################################## -target_sources(FANS_FANS PRIVATE - src/reader.cpp -) - -target_sources(FANS_main PRIVATE - src/main.cpp -) +target_sources(FANS_FANS PRIVATE src/reader.cpp) +target_sources(FANS_main PRIVATE src/main.cpp) # ############################################################################## # LINKING @@ -196,28 +156,16 @@ target_sources(FANS_main PRIVATE target_link_libraries(FANS_FANS PRIVATE m) -# TODO: when switching to a newer CMake version this can all be done by one -# call to target_link_libraries(FANS_FANS PUBLIC HDF5::HDF5). But CMake 3.16 -# does not yet support this. -target_include_directories(FANS_FANS PRIVATE ${HDF5_INCLUDE_DIRS}) -target_link_libraries(FANS_FANS PUBLIC ${HDF5_C_LIBRARIES}) -target_link_libraries(FANS_FANS PUBLIC ${HDF5_CXX_LIBRARIES}) -target_compile_definitions(FANS_FANS PUBLIC ${HDF5_DEFINITIONS}) +target_link_libraries(FANS_FANS PUBLIC HDF5::HDF5) if (HDF5_IS_PARALLEL) target_compile_definitions(FANS_FANS PUBLIC H5_HAVE_PARALLEL) endif () - target_link_libraries(FANS_FANS PUBLIC MPI::MPI_CXX) - -target_include_directories(FANS_FANS PRIVATE ${FFTW3_INCLUDE_DIRS}) -target_link_libraries(FANS_FANS PUBLIC ${FFTW3_LIBRARIES}) -target_compile_definitions(FANS_FANS PUBLIC ${FFTW3_DEFINITIONS}) - +target_link_libraries(FANS_FANS PUBLIC fftw3::double::serial fftw3::double::mpi) target_link_libraries(FANS_FANS PUBLIC Eigen3::Eigen) target_link_libraries(FANS_FANS PUBLIC nlohmann_json::nlohmann_json) target_link_libraries(FANS_FANS PUBLIC spdlog::spdlog) -target_include_directories(FANS_main PRIVATE ${HDF5_INCLUDE_DIRS} ${FFTW3_INCLUDE_DIRS}) target_link_libraries(FANS_main PRIVATE FANS::FANS) # ############################################################################## @@ -237,26 +185,16 @@ install( EXPORT FANS LIBRARY DESTINATION ${CMAKE_INSTALL_LIBDIR} - COMPONENT FANS_Runtime - NAMELINK_COMPONENT FANS_Development ARCHIVE DESTINATION ${CMAKE_INSTALL_LIBDIR} - COMPONENT FANS_Development INCLUDES DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/FANS - PUBLIC_HEADER - DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/FANS - COMPONENT FANS_Development - PRIVATE_HEADER - DESTINATION ${CMAKE_INSTALL_INCLUDEDIR}/FANS - COMPONENT FANS_Development ) install( TARGETS FANS_main RUNTIME DESTINATION ${CMAKE_INSTALL_BINDIR} - COMPONENT FANS_Runtime ) install( @@ -264,13 +202,11 @@ install( DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/FANS NAMESPACE FANS:: FILE FANSTargets.cmake - COMPONENT FANS_Development ) install( FILES ${CMAKE_CURRENT_SOURCE_DIR}/cmake/modules/FindFFTW3.cmake DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/FANS/modules - COMPONENT FANS_Development ) write_basic_package_version_file( @@ -288,7 +224,6 @@ install( FILES ${CMAKE_CURRENT_BINARY_DIR}/FANSConfig.cmake ${CMAKE_CURRENT_BINARY_DIR}/FANSConfigVersion.cmake DESTINATION ${CMAKE_INSTALL_LIBDIR}/cmake/FANS - COMPONENT FANS_Development ) # ############################################################################## @@ -303,15 +238,3 @@ if (FANS_ENABLE_TESTING) enable_testing() add_subdirectory(test) endif () - -# ############################################################################## -# PACKAGING -# ############################################################################## - -if (CMAKE_CURRENT_SOURCE_DIR STREQUAL CMAKE_SOURCE_DIR) - set(FANS_ENABLE_PACKAGING_DEFAULT ON) -endif () -option(FANS_ENABLE_PACKAGING "Enable creation of Debian packages" ${FANS_ENABLE_PACKAGING_DEFAULT}) -if (FANS_ENABLE_PACKAGING) - add_subdirectory(cmake/packaging) -endif () diff --git a/README.md b/README.md index d5aecf62..2476bac0 100644 --- a/README.md +++ b/README.md @@ -196,7 +196,6 @@ cd ../test | `CMAKE_INTERPROCEDURAL_OPTIMIZATION` | Enable link-time optimization (LTO) | `ON` (if supported) | | `FANS_BUILD_STATIC` | Build static library | `OFF` | | `CMAKE_INSTALL_PREFIX` | Installation directory | System default | -| `FANS_LIBRARY_FOR_MICRO_MANAGER` | Build Python bindings using Pybind11 (needed) | `OFF` | | `FANS_ENABLE_SANITIZERS` | Enable runtime sanitizers (AddressSanitizer and LeakSanitizer) for memory debugging | `OFF` | --- diff --git a/cmake/FANSConfig.cmake.in b/cmake/FANSConfig.cmake.in index 4acbf553..204b3be3 100644 --- a/cmake/FANSConfig.cmake.in +++ b/cmake/FANSConfig.cmake.in @@ -14,12 +14,13 @@ include(CMakeFindDependencyMacro) set(HDF5_ENABLE_PARALLEL ON) set(HDF5_PREFER_PARALLEL ON) find_dependency(HDF5 REQUIRED COMPONENTS C CXX) -if (NOT HDF5_C_IS_PARALLEL) - message(FATAL_ERROR "Parallel HDF5 implementation (mpi) required but not found!") +if (DEFINED HDF5_C_IS_PARALLEL AND NOT HDF5_C_IS_PARALLEL) + message(WARNING "HDF5 does not look MPI-parallel; FANS needs a parallel HDF5 at runtime.") endif() find_dependency(Eigen3) find_dependency(MPI) find_dependency(FFTW3 COMPONENTS DOUBLE MPI) +find_dependency(nlohmann_json) find_dependency(spdlog CONFIG) set(CMAKE_MODULE_PATH "${CMAKE_MODULE_PATH_save}") diff --git a/cmake/packaging/CMakeLists.txt b/cmake/packaging/CMakeLists.txt deleted file mode 100644 index 9bfee61f..00000000 --- a/cmake/packaging/CMakeLists.txt +++ /dev/null @@ -1,57 +0,0 @@ -# ############################################################################## -# PACKAGING -# ############################################################################## - -set(CPACK_OUTPUT_FILE_PREFIX "${CMAKE_BINARY_DIR}/packages") - -set(CPACK_PACKAGE_NAME "${PROJECT_NAME}") -set(CPACK_PACKAGE_VENDOR "MIB DAE Stuttgart") -set(CPACK_PACKAGE_DESCRIPTION_SUMMARY "FANS - Fourier Accelerated Nodal Solver" CACHE STRING "Extended summary.") -set(CPACK_PACKAGE_HOMEPAGE_URL "https://github.com/DataAnalyticsEngineering/FANS") -set(CPACK_DEBIAN_PACKAGE_MAINTAINER "MIB DAE Stuttgart") - -set(CPACK_PACKAGE_INSTALL_DIRECTORY ${CPACK_PACKAGE_NAME}) -set(CPACK_PACKAGE_VERSION_MAJOR ${PROJECT_VERSION_MAJOR}) -set(CPACK_PACKAGE_VERSION_MINOR ${PROJECT_VERSION_MINOR}) -set(CPACK_PACKAGE_VERSION_PATCH ${PROJECT_VERSION_PATCH}) -set(CPACK_VERBATIM_VARIABLES YES) -set(CPACK_DEBIAN_FILE_NAME DEB-DEFAULT) - -# set(CPACK_PACKAGE_DESCRIPTION_FILE ${CMAKE_CURRENT_LIST_DIR}/Description.txt) -# set(CPACK_RESOURCE_FILE_WELCOME ${CMAKE_CURRENT_LIST_DIR}/Welcome.txt) -# set(CPACK_RESOURCE_FILE_LICENSE ${CMAKE_CURRENT_LIST_DIR}/License.txt) -# set(CPACK_RESOURCE_FILE_README ${CMAKE_CURRENT_LIST_DIR}/Readme.txt) - -set(CPACK_DEB_COMPONENT_INSTALL ON) -set(CPACK_DEBIAN_ENABLE_COMPONENT_DEPENDS ON) - -set(CPACK_DEBIAN_FANS_RUNTIME_PACKAGE_NAME "fans") -set(CPACK_DEBIAN_FANS_DEVELOPMENT_PACKAGE_NAME "fans-dev") - -# this option automatically computes the dependencies of shared libraries (by looking at the libs they are themselves -# linked to). Requires 'dpkg-shlibdeps' to be available. -set(CPACK_DEBIAN_PACKAGE_SHLIBDEPS ON) - -# this package is not autodetected but is required for mpi to function properly -set(CPACK_DEBIAN_FANS_RUNTIME_PACKAGE_DEPENDS "openmpi-bin") - -# add header packages of dependencies as recommended (they are required to build from the FANS headers). -set(CPACK_DEBIAN_FANS_DEVELOPMENT_PACKAGE_DEPENDS "libhdf5-dev, libopenmpi-dev, libeigen3-dev, libfftw3-dev, libfftw3-mpi-dev") - -include(CPack) - -cpack_add_component(FANS_Runtime - DISPLAY_NAME "FANS Runtime" - DESCRIPTION "FANS shared library and executable" - REQUIRED - INSTALL_TYPES Full Developer Minimal -) -cpack_add_component(FANS_Development - DISPLAY_NAME "FANS Development" - DESCRIPTION "FANS headers and CMake files" - DEPENDS FANS_Runtime - INSTALL_TYPES Full Developer -) -cpack_add_install_type(Full) -cpack_add_install_type(Minimal) -cpack_add_install_type(Developer) diff --git a/docker/Dockerfile b/docker/Dockerfile index 4f1e4259..f97efe49 100644 --- a/docker/Dockerfile +++ b/docker/Dockerfile @@ -30,10 +30,9 @@ RUN apt-get update -qq && apt-get install -y --no-install-recommends \ # Build basics software-properties-common \ build-essential \ -# CMake + git for the CI checkout + file for CPack +# CMake + git for the CI checkout cmake \ git \ - file \ # FANS dependencies \ libhdf5-dev \ libhdf5-openmpi-dev \ @@ -43,9 +42,8 @@ RUN apt-get update -qq && apt-get install -y --no-install-recommends \ libfftw3-mpi-dev \ nlohmann-json3-dev \ libspdlog-dev \ -# Required for preCICE Micro Manager Python bindings +# Required for building pyfans python3-dev \ - pybind11-dev \ # Clean up && apt-get clean \ && apt-get autoremove --purge -y \ diff --git a/docs/ReleaseGuide.md b/docs/ReleaseGuide.md index 5d63ff7c..06607980 100644 --- a/docs/ReleaseGuide.md +++ b/docs/ReleaseGuide.md @@ -6,7 +6,7 @@ The release of the `FANS` repository is made directly from a release branch call 1. Create a branch called `FANS-v1.2.3` from the latest commit of the `develop` branch. -2. Bump the version in the `CHANGELOG.md`, the base `CMakeLists.txt`, and in the `pixi.toml` on the branch `FANS-v1.2.3`. +2. Bump the version in the `CHANGELOG.md`, the base `CMakeLists.txt`, the base `pixi.toml`, and in the `pyfans/pyproject.toml` on the branch `FANS-v1.2.3`. 3. Assuming you have Pixi installed, run the command `pixi lock` in the repository root to update the `pixi.lock` file. Then commit and push the `FANS-v1.2.3` branch to remote. diff --git a/pixi.lock b/pixi.lock index 3ec5dffe..90287845 100644 --- a/pixi.lock +++ b/pixi.lock @@ -32,6 +32,15 @@ environments: - conda: https://conda.anaconda.org/conda-forge/linux-64/alsa-lib-1.2.16.1-hb03c661_0.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/aom-3.14.1-pl5321h039972f_1.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/astropy-base-8.0.1-py314hc02f841_0.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/aws-c-auth-0.10.4-h4610da3_2.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/aws-c-cal-0.9.15-h6bbde05_1.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/aws-c-common-0.14.3-hb03c661_0.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/aws-c-compression-0.3.2-h01ee8f8_5.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/aws-c-http-0.11.0-hbe094ff_5.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/aws-c-io-0.27.5-h4f381ba_1.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/aws-c-s3-0.13.1-h7508075_1.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/aws-c-sdkutils-0.2.7-h01ee8f8_3.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/aws-checksums-0.2.10-h01ee8f8_5.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/blosc-1.21.6-he440d0b_1.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/brotli-1.2.0-hed03a55_1.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/brotli-bin-1.2.0-hb03c661_1.conda @@ -39,9 +48,8 @@ environments: - conda: https://conda.anaconda.org/conda-forge/linux-64/brunsli-0.1-hd1e3526_2.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/bzip2-1.0.8-hda65f42_10.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/c-ares-1.34.8-h280c20c_1.conda - - conda: https://conda.anaconda.org/conda-forge/linux-64/c-blosc2-3.3.1-hc31b594_0.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/c-blosc2-3.3.2-hc31b594_0.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/cairo-1.18.4-he90730b_1.conda - - conda: https://conda.anaconda.org/conda-forge/linux-64/cffi-2.1.1-py314h4a8dc5f_0.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/cftime-1.6.5-py314hc02f841_1.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/charls-2.4.4-hecca717_0.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/cli11-2.7.2-h54a6638_1.conda @@ -52,10 +60,11 @@ environments: - conda: https://conda.anaconda.org/conda-forge/linux-64/debugpy-1.8.21-py314h42812f9_0.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/double-conversion-3.4.0-hecca717_0.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/ducc0-0.41.0-py314ha160325_0.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/editdistance-0.8.1-py314ha160325_0.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/eigen-abi-5.0.1.80-hf414acd_0.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/fftw-3.3.11-nompi_h3b011a4_100.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/fmt-12.1.0-h76c4fd7_1.conda - - conda: https://conda.anaconda.org/conda-forge/linux-64/fontconfig-2.18.2-h27c8c51_0.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/fontconfig-2.18.3-h27c8c51_0.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/freetype-2.14.3-ha770c72_1.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/fribidi-1.0.16-hb03c661_1.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/geos-3.14.1-h480dda7_0.conda @@ -66,10 +75,10 @@ environments: - conda: https://conda.anaconda.org/conda-forge/linux-64/gmp-6.3.0-hac33072_2.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/gmpy2-2.3.0-py314h28848ee_1.conda - conda: https://conda.anaconda.org/conda-forge/linux-64/graphite2-1.3.15-h54a6638_1.conda - - conda: https://conda.anaconda.org/conda-forge/linux-64/h5py-3.16.0-nompi_py314hc32fe06_102.conda + - conda: https://conda.anaconda.org/conda-forge/linux-64/h5py-3.16.0-nompi_py314hddf7a69_102.conda - 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conda: https://conda.anaconda.org/conda-forge/osx-arm64/sigtool-codesign-0.1.3-h98dc951_1.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/spdlog-1.17.0-h760df91_2.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/tapi-1600.0.11.8-hb561403_3.conda + - conda: https://conda.anaconda.org/conda-forge/osx-arm64/zstd-1.5.7-hbf9d68e_6.conda diff --git a/pixi.toml b/pixi.toml index 6646c532..7138673c 100644 --- a/pixi.toml +++ b/pixi.toml @@ -10,7 +10,7 @@ fans = { path = "." } [feature.dashboard.dependencies] python = ">=3.14.6,<3.15" pytest = ">=9.1.1,<10" -pre-commit = ">=4.6.1,<5" +pre-commit = ">=4.6.2,<5" git = ">=2.55.0,<3" ipykernel = ">=7.3.0,<8" time = ">=1.10,<2" @@ -26,16 +26,22 @@ cmd = "cd \"$INIT_CWD\" && python -m MSUtils.general.h52xdmf {{ extra }} {{ fil [feature.dev.dependencies] cmake = ">=4.4.2,<5" -python = ">=3.14.6,<3.15" -pybind11 = ">=3.0.3,<4" openmpi-mpicxx = ">=5.0.10,<6" -hdf5 = { version = ">=2.1.0,<3", build = "mpi_openmpi_*" } +hdf5 = { version = ">=2.2.0,<3", build = "mpi_openmpi_*" } fftw = { version = ">=3.3.11,<4", build = "mpi_openmpi_*" } eigen = ">=5.0.1,<6" nlohmann_json = ">=3.12.0,<4" spdlog = ">=1.17.0,<2" time = ">=1.10,<2" +# For pyfans +python = ">=3.14.6,<3.15" +pip = ">=26.2.1,<27" +nanobind = ">=2.14.0,<3" +scikit-build-core = ">=1.0.3,<2" +numpy = ">=2.5.2,<3" +mpi4py = ">=4.1.2,<5" + [tasks] test = { cmd = "pytest -v -s --from-pixi", cwd = "test/pytest", depends-on = ["test-fans"] } test-fans = { cmd = "./run_tests.sh -n {{n}}", args = [ @@ -51,17 +57,12 @@ dev = { features = ["dev"], no-default-feature = true } [package] name = "fans" -version = "0.8.0" +version = "0.8.1" +publish = true [package.build] backend = { name = "pixi-build-cmake", version = "*" } -[package.build.config] -extra-args = ["-DFANS_LIBRARY_FOR_MICRO_MANAGER=ON"] - -[workspace.build-variants] -python = ["3.14.*"] - [workspace.target.osx-arm64.build-variants] cxx_compiler = ["clangxx"] @@ -74,8 +75,6 @@ pkg-config = "*" ninja = "*" [package.host-dependencies] -python = "*" -pybind11 = "*" hdf5 = { version = ">=1.14.6,<2", build = "mpi_openmpi_*" } fftw = { version = "*", build = "mpi_openmpi_*" } openmpi-mpicxx = "*" diff --git a/pyfans/CMakeLists.txt b/pyfans/CMakeLists.txt index 590b718c..73f7da24 100644 --- a/pyfans/CMakeLists.txt +++ b/pyfans/CMakeLists.txt @@ -1,33 +1,29 @@ -pybind11_add_module(PyFANS micro.hpp micro.cpp) -target_include_directories(PyFANS PRIVATE ${HDF5_INCLUDE_DIRS} ${FFTW3_INCLUDE_DIRS}) +# pyFANS builds against an installed FANS, so the FANS core needs no Python. + +cmake_minimum_required(VERSION 3.21) + +# C too: FANS's FindFFTW3 probes with a try_run on a .c file. +project(pyfans LANGUAGES C CXX) + +set(CMAKE_CXX_STANDARD 17) +set(CMAKE_CXX_STANDARD_REQUIRED ON) + +find_package(FANS REQUIRED) + +# Development.SABIModule provides Python::SABIModule; without it nanobind +# silently ignores STABLE_ABI and emits a version-specific module. +find_package(Python 3.12 REQUIRED + COMPONENTS Interpreter Development.Module Development.SABIModule) +find_package(nanobind CONFIG REQUIRED) + +nanobind_add_module(PyFANS STABLE_ABI NB_STATIC micro.hpp micro.cpp) target_link_libraries(PyFANS PRIVATE FANS::FANS) -message(STATUS "PyFANS builds against Python ${Python_VERSION} at ${Python_EXECUTABLE}") - -# Not CACHE: a cached value would survive a reconfigure against a different -# Python and install into the old version's site-packages. -if (NOT DEFINED FANS_PYTHON_SITE_DIR) - set(FANS_PYTHON_SITE_DIR - "${CMAKE_INSTALL_LIBDIR}/python${Python_VERSION_MAJOR}.${Python_VERSION_MINOR}/site-packages") -endif() - -# $ORIGIN/../.. is /lib, where libFANS.so lands. -set_target_properties(PyFANS PROPERTIES - INSTALL_RPATH "$ORIGIN/../.." - BUILD_WITH_INSTALL_RPATH FALSE) - -install( - TARGETS PyFANS - LIBRARY - DESTINATION ${FANS_PYTHON_SITE_DIR} - COMPONENT FANS_Runtime -) - -add_custom_command( - TARGET PyFANS - POST_BUILD - COMMAND ${CMAKE_COMMAND} -E create_symlink - $ - ${CMAKE_CURRENT_SOURCE_DIR}/../test/test_pyfans/$ - COMMENT "Create a symlink for FANS python bindings to ${CMAKE_CURRENT_SOURCE_DIR}/../test/" -) +# From site-packages, libFANS.so is two levels up in /lib. +if (APPLE) + set_target_properties(PyFANS PROPERTIES INSTALL_RPATH "@loader_path/../..") +else () + set_target_properties(PyFANS PROPERTIES INSTALL_RPATH "$ORIGIN/../..") +endif () + +install(TARGETS PyFANS LIBRARY DESTINATION .) diff --git a/pyfans/README.md b/pyfans/README.md index 475f0051..e5e9e064 100644 --- a/pyfans/README.md +++ b/pyfans/README.md @@ -1,15 +1,43 @@ # pyFANS -pyFANS is a Python-wrapped library to control FANS via the [Micro Manager](https://precice.org/tooling-micro-manager-overview.html). The main idea is to create a large number of FANS simulations, and couple them to one macro-scale simulation typically in Abaqus, CalculiX, etc. The library follows the [API of the Micro Manager](https://precice.org/tooling-micro-manager-prepare-micro-simulation.html). +Python bindings for FANS, used to drive a large number of FANS micro simulations +from one macro-scale simulation through the +[Micro Manager](https://precice.org/tooling-micro-manager-overview.html) and +preCICE. The class follows the +[Micro Manager API](https://precice.org/tooling-micro-manager-prepare-micro-simulation.html). -## Dependencies +pyFANS is a separate Python project that builds against an installed FANS, so +FANS itself has no Python dependency. -- [pybind11](https://pybind11.readthedocs.io/en/stable/index.html) +## Installing -## Building +Install FANS first, then the bindings against it: -To build FANS as a Micro Manager compatible Python library, set the CMake variable `FANS_LIB` to `ON`. The CMake command to compile FANS would then be `cmake .. -DFANS_LIBRARY_FOR_MICRO_MANAGER=ON`. +```bash +cmake -S . -B build -DCMAKE_INSTALL_PREFIX= +cmake --build build -j +cmake --install build + +CMAKE_PREFIX_PATH= pip install ./pyfans +``` + +Needs Python 3.12 or newer. The result is an `abi3` wheel, so one build works on +every Python from 3.12 onward. ## Usage -pyFANS is intended to be used with the Micro Manager and preCICE for two-scale coupled simulations. However, standalone use of the library is not restricted per se. Look at the [test_pyfans](../test/test_pyfans/) example to see how the library is used in a Python script. +```python +from mpi4py import MPI +import numpy as np +import PyFANS + +sim = PyFANS.MicroSimulation(sim_id=0, input_file="input.json") +out = sim.solve({"Strains1to3": np.zeros(3), "Strains4to6": np.zeros(3)}, 1.0) +``` + +The macro strain goes in as Mandel components and comes back as the homogenized +stress and tangent, all as numpy arrays. preCICE vector data is fixed to the mesh +dimension, which is why the six strain components arrive as two 3-vectors and the +tangent comes back as `Cmat1` to `Cmat7`. + +See [test_pyfans](../test/test_pyfans/) for a full coupled example. diff --git a/pyfans/micro.cpp b/pyfans/micro.cpp index 9b1ed675..14e85e58 100644 --- a/pyfans/micro.cpp +++ b/pyfans/micro.cpp @@ -1,6 +1,6 @@ // Micro simulation for mechanical problems // In this file we solve a micro problem with FANS which is controlled by the Micro Manager -// This file is compiled with pybind11 to be available as a python module +// This file is compiled with nanobind to be available as a python module // #include "micro.hpp" @@ -70,28 +70,38 @@ std::vector merge_arrays(const std::vector &v1, const std::vecto return res; } -std::vector conv_to_vector(const py::array_t &arr, const int size) +// Strided access, so a non-contiguous array needs no copy. +using Array1D = nb::ndarray>; + +std::vector conv_to_vector(const nb::object &obj, const int size) { + const auto arr = nb::cast(obj); std::vector res; res.resize(size); - // arr not necessarily contiguous for (int i = 0; i < size; i++) - res[i] = arr.at(i); + res[i] = arr(i); return res; } -py::dict MicroSimulation::solve(const py::dict ¯o_data, double dt) +// The capsule frees the buffer with the last Python reference to the array. +static nb::ndarray> make_np_array(double d0, double d1, double d2) +{ + auto *data = new double[3]{d0, d1, d2}; + nb::capsule owner(data, [](void *p) noexcept { delete[] static_cast(p); }); + return nb::ndarray>(data, {3}, owner); +} + +nb::dict MicroSimulation::solve(const nb::dict ¯o_data, double dt) { const bool is_small_strain = std::holds_alternative *>(matmanager); // Time step value dt is not used currently, but is available for future use - // Create a pybind style Numpy array from macro_write_data["micro_vector_data"], which is a Numpy array - std::vector strain1 = conv_to_vector(macro_data["Strains1to3"].cast>(), 3); - std::vector strain2 = conv_to_vector(macro_data["Strains4to6"].cast>(), 3); + std::vector strain1 = conv_to_vector(macro_data["Strains1to3"], 3); + std::vector strain2 = conv_to_vector(macro_data["Strains4to6"], 3); std::vector strain = merge_arrays(strain1, strain2); if (not is_small_strain) { - std::vector strain3 = conv_to_vector(macro_data["Strains7to9"].cast>(), 3); + std::vector strain3 = conv_to_vector(macro_data["Strains7to9"], 3); strain = merge_arrays(strain, strain3); } @@ -105,73 +115,64 @@ py::dict MicroSimulation::solve(const py::dict ¯o_data, double dt) MatrixXd C = std::visit([&](auto &s) -> MatrixXd { return s->get_homogenized_tangent(pert_param); }, solver); - // Convert data to a py::dict again to send it back to the Micro Manager - py::dict micro_write_data; - - auto make_py_array = [](double d0, double d1, double d2) { - py::array_t arr(3); - auto buf = arr.mutable_unchecked<1>(); - buf(0) = d0; - buf(1) = d1; - buf(2) = d2; - return arr; - }; + // Convert data to a dict again to send it back to the Micro Manager + nb::dict micro_write_data; // Add stress and stiffness matrix data to Python dict to be returned if (is_small_strain) { - micro_write_data["Stresses1to3"] = make_py_array(homogenized_stress[0], homogenized_stress[1], homogenized_stress[2]); - micro_write_data["Stresses4to6"] = make_py_array(homogenized_stress[3], homogenized_stress[4], homogenized_stress[5]); - micro_write_data["Cmat1"] = make_py_array(C(0, 0), C(0, 1), C(0, 2)); - micro_write_data["Cmat2"] = make_py_array(C(0, 3), C(0, 4), C(0, 5)); - micro_write_data["Cmat3"] = make_py_array(C(1, 1), C(1, 2), C(1, 3)); - micro_write_data["Cmat4"] = make_py_array(C(1, 4), C(1, 5), C(2, 2)); - micro_write_data["Cmat5"] = make_py_array(C(2, 3), C(2, 4), C(2, 5)); - micro_write_data["Cmat6"] = make_py_array(C(3, 3), C(3, 4), C(3, 5)); - micro_write_data["Cmat7"] = make_py_array(C(4, 4), C(4, 5), C(5, 5)); + micro_write_data["Stresses1to3"] = make_np_array(homogenized_stress[0], homogenized_stress[1], homogenized_stress[2]); + micro_write_data["Stresses4to6"] = make_np_array(homogenized_stress[3], homogenized_stress[4], homogenized_stress[5]); + micro_write_data["Cmat1"] = make_np_array(C(0, 0), C(0, 1), C(0, 2)); + micro_write_data["Cmat2"] = make_np_array(C(0, 3), C(0, 4), C(0, 5)); + micro_write_data["Cmat3"] = make_np_array(C(1, 1), C(1, 2), C(1, 3)); + micro_write_data["Cmat4"] = make_np_array(C(1, 4), C(1, 5), C(2, 2)); + micro_write_data["Cmat5"] = make_np_array(C(2, 3), C(2, 4), C(2, 5)); + micro_write_data["Cmat6"] = make_np_array(C(3, 3), C(3, 4), C(3, 5)); + micro_write_data["Cmat7"] = make_np_array(C(4, 4), C(4, 5), C(5, 5)); } else { - micro_write_data["Stresses1to3"] = make_py_array(homogenized_stress[0], homogenized_stress[1], homogenized_stress[2]); - micro_write_data["Stresses4to6"] = make_py_array(homogenized_stress[3], homogenized_stress[4], homogenized_stress[5]); - micro_write_data["Stresses7to9"] = make_py_array(homogenized_stress[6], homogenized_stress[7], homogenized_stress[8]); - micro_write_data["Cmat1"] = make_py_array(C(0, 0), C(0, 1), C(0, 2)); - micro_write_data["Cmat2"] = make_py_array(C(0, 3), C(0, 4), C(0, 5)); - micro_write_data["Cmat3"] = make_py_array(C(0, 6), C(0, 7), C(0, 8)); - micro_write_data["Cmat4"] = make_py_array(C(1, 0), C(1, 1), C(1, 2)); - micro_write_data["Cmat5"] = make_py_array(C(1, 3), C(1, 4), C(1, 5)); - micro_write_data["Cmat6"] = make_py_array(C(1, 6), C(1, 7), C(1, 8)); - micro_write_data["Cmat7"] = make_py_array(C(2, 0), C(2, 1), C(2, 2)); - micro_write_data["Cmat8"] = make_py_array(C(2, 3), C(2, 4), C(2, 5)); - micro_write_data["Cmat9"] = make_py_array(C(2, 6), C(2, 7), C(2, 8)); - micro_write_data["Cmat10"] = make_py_array(C(3, 0), C(3, 1), C(3, 2)); - micro_write_data["Cmat11"] = make_py_array(C(3, 3), C(3, 4), C(3, 5)); - micro_write_data["Cmat12"] = make_py_array(C(3, 6), C(3, 7), C(3, 8)); - micro_write_data["Cmat13"] = make_py_array(C(4, 0), C(4, 1), C(4, 2)); - micro_write_data["Cmat14"] = make_py_array(C(4, 3), C(4, 4), C(4, 5)); - micro_write_data["Cmat15"] = make_py_array(C(4, 6), C(4, 7), C(4, 8)); - micro_write_data["Cmat16"] = make_py_array(C(5, 0), C(5, 1), C(5, 2)); - micro_write_data["Cmat17"] = make_py_array(C(5, 3), C(5, 4), C(5, 5)); - micro_write_data["Cmat18"] = make_py_array(C(5, 6), C(5, 7), C(5, 8)); - micro_write_data["Cmat19"] = make_py_array(C(6, 0), C(6, 1), C(6, 2)); - micro_write_data["Cmat20"] = make_py_array(C(6, 3), C(6, 4), C(6, 5)); - micro_write_data["Cmat21"] = make_py_array(C(6, 6), C(6, 7), C(6, 8)); - micro_write_data["Cmat22"] = make_py_array(C(7, 0), C(7, 1), C(7, 2)); - micro_write_data["Cmat23"] = make_py_array(C(7, 3), C(7, 4), C(7, 5)); - micro_write_data["Cmat24"] = make_py_array(C(7, 6), C(7, 7), C(7, 8)); - micro_write_data["Cmat25"] = make_py_array(C(8, 0), C(8, 1), C(8, 2)); - micro_write_data["Cmat26"] = make_py_array(C(8, 3), C(8, 4), C(8, 5)); - micro_write_data["Cmat27"] = make_py_array(C(8, 6), C(8, 7), C(8, 8)); + micro_write_data["Stresses1to3"] = make_np_array(homogenized_stress[0], homogenized_stress[1], homogenized_stress[2]); + micro_write_data["Stresses4to6"] = make_np_array(homogenized_stress[3], homogenized_stress[4], homogenized_stress[5]); + micro_write_data["Stresses7to9"] = make_np_array(homogenized_stress[6], homogenized_stress[7], homogenized_stress[8]); + micro_write_data["Cmat1"] = make_np_array(C(0, 0), C(0, 1), C(0, 2)); + micro_write_data["Cmat2"] = make_np_array(C(0, 3), C(0, 4), C(0, 5)); + micro_write_data["Cmat3"] = make_np_array(C(0, 6), C(0, 7), C(0, 8)); + micro_write_data["Cmat4"] = make_np_array(C(1, 0), C(1, 1), C(1, 2)); + micro_write_data["Cmat5"] = make_np_array(C(1, 3), C(1, 4), C(1, 5)); + micro_write_data["Cmat6"] = make_np_array(C(1, 6), C(1, 7), C(1, 8)); + micro_write_data["Cmat7"] = make_np_array(C(2, 0), C(2, 1), C(2, 2)); + micro_write_data["Cmat8"] = make_np_array(C(2, 3), C(2, 4), C(2, 5)); + micro_write_data["Cmat9"] = make_np_array(C(2, 6), C(2, 7), C(2, 8)); + micro_write_data["Cmat10"] = make_np_array(C(3, 0), C(3, 1), C(3, 2)); + micro_write_data["Cmat11"] = make_np_array(C(3, 3), C(3, 4), C(3, 5)); + micro_write_data["Cmat12"] = make_np_array(C(3, 6), C(3, 7), C(3, 8)); + micro_write_data["Cmat13"] = make_np_array(C(4, 0), C(4, 1), C(4, 2)); + micro_write_data["Cmat14"] = make_np_array(C(4, 3), C(4, 4), C(4, 5)); + micro_write_data["Cmat15"] = make_np_array(C(4, 6), C(4, 7), C(4, 8)); + micro_write_data["Cmat16"] = make_np_array(C(5, 0), C(5, 1), C(5, 2)); + micro_write_data["Cmat17"] = make_np_array(C(5, 3), C(5, 4), C(5, 5)); + micro_write_data["Cmat18"] = make_np_array(C(5, 6), C(5, 7), C(5, 8)); + micro_write_data["Cmat19"] = make_np_array(C(6, 0), C(6, 1), C(6, 2)); + micro_write_data["Cmat20"] = make_np_array(C(6, 3), C(6, 4), C(6, 5)); + micro_write_data["Cmat21"] = make_np_array(C(6, 6), C(6, 7), C(6, 8)); + micro_write_data["Cmat22"] = make_np_array(C(7, 0), C(7, 1), C(7, 2)); + micro_write_data["Cmat23"] = make_np_array(C(7, 3), C(7, 4), C(7, 5)); + micro_write_data["Cmat24"] = make_np_array(C(7, 6), C(7, 7), C(7, 8)); + micro_write_data["Cmat25"] = make_np_array(C(8, 0), C(8, 1), C(8, 2)); + micro_write_data["Cmat26"] = make_np_array(C(8, 3), C(8, 4), C(8, 5)); + micro_write_data["Cmat27"] = make_np_array(C(8, 6), C(8, 7), C(8, 8)); } return micro_write_data; } -py::dict MicroSimulation::get_state() +nb::dict MicroSimulation::get_state() { // TODO populate state - py::dict state; + nb::dict state; return state; } -void MicroSimulation::set_state(const py::dict &state) +void MicroSimulation::set_state(const nb::dict &state) { // TODO read from state, not file reader.FreeMS(); @@ -205,20 +206,20 @@ void MicroSimulation::set_id(const int id) _sim_id = id; } -PYBIND11_MODULE(PyFANS, m) +NB_MODULE(PyFANS, m) { // optional docstring - m.doc() = "FANS for Micro Manager"; - - py::class_(m, "MicroSimulation") - .def(py::init(), - py::arg("sim_id"), - py::arg("late_init") = false, - py::arg("input_file") = "input.json", - py::arg("config_file") = "pyfans-config.json") - .def("solve", &MicroSimulation::solve, py::return_value_policy::automatic) + m.doc() = "Python bindings for FANS"; + + nb::class_(m, "MicroSimulation") + .def(nb::init(), + nb::arg("sim_id"), + nb::arg("late_init") = false, + nb::arg("input_file") = "input.json", + nb::arg("config_file") = "pyfans-config.json") + .def("solve", &MicroSimulation::solve) .def("set_state", &MicroSimulation::set_state) - .def("get_state", &MicroSimulation::get_state, py::return_value_policy::automatic) + .def("get_state", &MicroSimulation::get_state) .def("get_global_id", &MicroSimulation::get_id) .def("set_global_id", &MicroSimulation::set_id); } diff --git a/pyfans/micro.hpp b/pyfans/micro.hpp index 606433a3..a416578a 100644 --- a/pyfans/micro.hpp +++ b/pyfans/micro.hpp @@ -1,30 +1,29 @@ // This is the header file for the micro simulation class. -// It is included in the micro_cpp_dummy.cpp file and the micro_cpp_dummy.cpp file is compiled with pybind11 to create a python module. -// The python module is then imported in the Micro Manager. +// It is compiled with nanobind to create a python module, which is then imported by the Micro Manager. #pragma once #include #include #include -#include "pybind11/pybind11.h" -#include "pybind11/numpy.h" // numpy arrays -#include "pybind11/stl.h" // std::vector conversion +#include +#include // numpy arrays +#include // std::string conversion #include "general.h" #include "matmodel.h" #include "MaterialManager.h" #include "solver.h" -namespace py = pybind11; +namespace nb = nanobind; class MicroSimulation { public: MicroSimulation(int sim_id, bool late_init = false, const std::string &input_file = "input.json", const std::string &config_file = "pyfans-config.json"); - py::dict solve(const py::dict ¯o_write_data, double dt); + nb::dict solve(const nb::dict ¯o_write_data, double dt); - py::dict get_state(); - void set_state(const py::dict &state); + nb::dict get_state(); + void set_state(const nb::dict &state); int get_id(); void set_id(int id); diff --git a/pyfans/pyproject.toml b/pyfans/pyproject.toml new file mode 100644 index 00000000..3a473147 --- /dev/null +++ b/pyfans/pyproject.toml @@ -0,0 +1,45 @@ +[project] +name = "pyfans" +description = "Python bindings for FANS" +version = "0.8.1" +requires-python = ">=3.12" + +[build-system] +requires = ["scikit-build-core>=0.10", "nanobind>=2.0"] +build-backend = "scikit_build_core.build" + +[tool.scikit-build] +# One abi3 wheel for every supported Python. Must agree with STABLE_ABI. +wheel.py-api = "cp312" + +################## Pixi build part ################## + +# pixi build. No [tool.pixi.workspace]: pyfans is a member of the FANS +# workspace above, so `pixi publish` builds it together with `fans`. +[tool.pixi.package] +publish = true + +[tool.pixi.package.build] +backend = { name = "pixi-build-python", version = "*" } + +[tool.pixi.package.build-dependencies] +cmake = "*" +ninja = "*" + +[tool.pixi.package.build.config] +# abi3 makes the module independent of the Python version, not the platform. +noarch = false +abi3 = true + +[tool.pixi.package.host-dependencies] +python = ">=3.12" +scikit-build-core = ">=0.10,<1" +nanobind = ">=2.0,<3" +fans = { path = ".." } + +openmpi-mpicxx = "*" +eigen = "*" +nlohmann_json = "*" + +[tool.pixi.package.run-dependencies] +fans = { path = ".." } diff --git a/test/test_pyfans/README.md b/test/test_pyfans/README.md deleted file mode 100644 index cd5371c8..00000000 --- a/test/test_pyfans/README.md +++ /dev/null @@ -1,19 +0,0 @@ -# Test pyFANS - -Test pyFANS as standalone library called from a Python script. - -## Build pyFANS - -Configure the FANS CMake build with the variable `FANS_LIB` set to `ON`. - -## Dependencies - -Install the following dependencies - -## Run the test - -The test runs a dummy macro problem (unit cube) which is coupled via preCICE to the Micro Manager. The Micro Manager controls micro simulations created using pyFANS. Run the test by running - -```bash -python macro-cube.py & micro-manager-precice micro-manager-config.json -```