burnman-cpp 0.11.1__tar.gz → 0.17.0__tar.gz

burnman_cpp-0.17.0/.github/workflows/benchmarks.yml

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+name: Benchmarks
+
+on:
+  push:
+  pull_request:
+  workflow_dispatch:
+
+permissions:
+  contents: read
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
+
+defaults:
+  run:
+    shell: bash
+
+env:
+  MPLBACKEND: Agg
+
+jobs:
+  cpp:
+    name: C++ performance benchmarks
+    runs-on: ubuntu-24.04
+    timeout-minutes: 20
+    steps:
+      - name: Check out repository
+        uses: actions/checkout@v7
+        with:
+          persist-credentials: false
+
+      - name: Set up Python
+        uses: actions/setup-python@v7
+        with:
+          python-version: "3.12"
+
+      - name: Configure plotting environment
+        run: echo "MPLCONFIGDIR=$RUNNER_TEMP/matplotlib" >> "$GITHUB_ENV"
+
+      - name: Install native dependencies
+        run: |
+          sudo apt-get update
+          sudo apt-get install -y --no-install-recommends \
+            cmake g++ catch2 libeigen3-dev libgsl-dev \
+            libcdd-dev libgmp-dev libnlopt-cxx-dev libhdf5-dev
+
+      - name: Configure benchmarks
+        run: |
+          cmake -S . -B build/ci-benchmarks \
+            -DCMAKE_BUILD_TYPE=Release \
+            -DBURNMAN_BUILD_PYTHON=OFF \
+            -DBURNMAN_BUILD_TESTS=OFF \
+            -DBURNMAN_BUILD_BENCHMARKS=ON \
+            -DBURNMAN_WARNINGS_AS_ERRORS=ON
+
+      - name: Build benchmarks
+        run: cmake --build build/ci-benchmarks --parallel 2
+
+      - name: Run benchmarks
+        run: ctest --test-dir build/ci-benchmarks --output-on-failure -L benchmarks
+
+      - name: Install reporting dependencies
+        run: python -m pip install -r benchmarks/requirements.txt
+
+      - name: Process benchmark report
+        run: |
+          python benchmarks/parse_benchmarks.py \
+            build/ci-benchmarks/benchmark-report.xml ci \
+            --output-dir build/ci-benchmarks/results --no-plots
+
+      - name: Upload benchmark reports
+        if: always()
+        uses: actions/upload-artifact@v7
+        with:
+          name: cpp-benchmark-reports
+          path: |
+            build/ci-benchmarks/benchmark-report.xml
+            build/ci-benchmarks/results/
+            build/ci-benchmarks/Testing/Temporary/LastTest.log
+          if-no-files-found: ignore
+
+  python:
+    name: Python BurnMan reference benchmarks
+    runs-on: ubuntu-24.04
+    timeout-minutes: 20
+    env:
+      PYTHONDONTWRITEBYTECODE: "1"
+    steps:
+      - name: Check out repository
+        uses: actions/checkout@v7
+        with:
+          persist-credentials: false
+
+      - name: Read BurnMan reference pin
+        id: reference
+        run: python3 tools/burnman_reference.py --github-output >> "$GITHUB_OUTPUT"
+
+      - name: Check out reference BurnMan
+        uses: actions/checkout@v7
+        with:
+          repository: ${{ steps.reference.outputs.repository }}
+          ref: ${{ steps.reference.outputs.commit }}
+          path: build/python-burnman-reference
+          persist-credentials: false
+
+      - name: Set up Python
+        uses: actions/setup-python@v7
+        with:
+          python-version: "3.12"
+
+      - name: Configure plotting environment
+        run: echo "MPLCONFIGDIR=$RUNNER_TEMP/matplotlib" >> "$GITHUB_ENV"
+
+      - name: Install reference BurnMan
+        run: python -m pip install ./build/python-burnman-reference
+
+      - name: Run Python reference benchmarks
+        run: python benchmarks/python_benchmarks.py --output-dir build/ci-python-benchmarks
+
+      - name: Upload Python benchmark reports
+        if: always()
+        uses: actions/upload-artifact@v7
+        with:
+          name: python-benchmark-reports
+          path: build/ci-python-benchmarks/*.csv
+          if-no-files-found: ignore

burnman_cpp-0.17.0/.github/workflows/tests.yml

@@ -0,0 +1,154 @@
+name: Tests
+
+on:
+  push:
+  pull_request:
+  workflow_dispatch:
+
+permissions:
+  contents: read
+
+concurrency:
+  group: ${{ github.workflow }}-${{ github.ref }}
+  cancel-in-progress: true
+
+defaults:
+  run:
+    shell: bash
+
+jobs:
+  cpp:
+    name: C++ tests
+    runs-on: ubuntu-24.04
+    timeout-minutes: 60
+    steps:
+      - name: Check out repository
+        uses: actions/checkout@v7
+        with:
+          persist-credentials: false
+
+      - name: Install native dependencies
+        run: |
+          sudo apt-get update
+          sudo apt-get install -y --no-install-recommends \
+            cmake g++ catch2 libeigen3-dev libgsl-dev \
+            libcdd-dev libgmp-dev libnlopt-cxx-dev libhdf5-dev
+
+      - name: Configure C++ tests
+        run: |
+          cmake -S . -B build/ci-cpp \
+            -DCMAKE_BUILD_TYPE=Release \
+            -DBURNMAN_BUILD_PYTHON=OFF \
+            -DBURNMAN_BUILD_TESTS=ON \
+            -DBURNMAN_WARNINGS_AS_ERRORS=ON
+
+      - name: Build C++ tests
+        run: cmake --build build/ci-cpp --parallel 2
+
+      - name: Run C++ unit tests
+        run: ctest --test-dir build/ci-cpp --output-on-failure
+
+  python:
+    name: Python ${{ matrix.python-version }} tests
+    runs-on: ubuntu-24.04
+    timeout-minutes: 60
+    strategy:
+      fail-fast: false
+      matrix:
+        python-version: ["3.10", "3.12", "3.14"]
+    env:
+      CMAKE_BUILD_PARALLEL_LEVEL: "2"
+      MPLBACKEND: Agg
+    steps:
+      - name: Check out repository
+        uses: actions/checkout@v7
+        with:
+          persist-credentials: false
+
+      - name: Configure plotting environment
+        run: echo "MPLCONFIGDIR=$RUNNER_TEMP/matplotlib" >> "$GITHUB_ENV"
+
+      - name: Set up Python
+        uses: actions/setup-python@v7
+        with:
+          python-version: ${{ matrix.python-version }}
+          cache: pip
+          cache-dependency-path: pyproject.toml
+
+      - name: Install native dependencies
+        run: |
+          sudo apt-get update
+          sudo apt-get install -y --no-install-recommends \
+            cmake g++ libeigen3-dev libgsl-dev \
+            libcdd-dev libgmp-dev libnlopt-cxx-dev libhdf5-dev
+
+      - name: Build and install Python package
+        run: python -m pip install '.[test,examples]' -Ccmake.define.BURNMAN_WARNINGS_AS_ERRORS=ON
+
+      # Keep the ordinary package jobs independent of the optional reference.
+      - name: Run Python package tests
+        run: python -m pytest -q -ra python/tests
+
+  reference:
+    name: Pinned Python BurnMan reference
+    runs-on: ubuntu-24.04
+    timeout-minutes: 60
+    env:
+      CMAKE_BUILD_PARALLEL_LEVEL: "2"
+      MPLBACKEND: Agg
+      PYTHONDONTWRITEBYTECODE: "1"
+    steps:
+      - name: Check out repository
+        uses: actions/checkout@v7
+        with:
+          persist-credentials: false
+
+      - name: Configure plotting environment
+        run: echo "MPLCONFIGDIR=$RUNNER_TEMP/matplotlib" >> "$GITHUB_ENV"
+
+      - name: Read BurnMan reference pin
+        id: reference
+        run: python3 tools/burnman_reference.py --github-output >> "$GITHUB_OUTPUT"
+
+      - name: Check out reference BurnMan
+        uses: actions/checkout@v7
+        with:
+          repository: ${{ steps.reference.outputs.repository }}
+          ref: ${{ steps.reference.outputs.commit }}
+          path: build/python-burnman-reference
+          persist-credentials: false
+
+      - name: Set up Python
+        uses: actions/setup-python@v7
+        with:
+          python-version: "3.12"
+          cache: pip
+          cache-dependency-path: |
+            pyproject.toml
+            build/python-burnman-reference/pyproject.toml
+
+      - name: Install native dependencies
+        run: |
+          sudo apt-get update
+          sudo apt-get install -y --no-install-recommends \
+            cmake g++ clang-format libeigen3-dev libgsl-dev \
+            libcdd-dev libgmp-dev libnlopt-cxx-dev libhdf5-dev
+
+      - name: Install wrapper and reference dependencies
+        run: |
+          python -m pip install '.[test,examples]' -Ccmake.define.BURNMAN_WARNINGS_AS_ERRORS=ON
+          python -m pip install -e 'build/python-burnman-reference[dev]' h5py
+
+      - name: Audit stored reference values and mineral catalogue
+        env:
+          PYTHONPATH: ${{ github.workspace }}/build/python-burnman-reference
+        run: |
+          python tools/check_reference_data.py
+          python tools/export_example_minerals.py --check
+          python tools/export_covariance_data.py --check
+          python tools/generate_ps1994_reference.py --reference build/python-burnman-reference
+
+      - name: Run complete Python suite with the pinned reference
+        env:
+          PYTHONPATH: ${{ github.workspace }}/build/python-burnman-reference
+        run: python -m pytest -q -ra python/tests

burnman_cpp-0.17.0/CMakeLists.txt

@@ -0,0 +1,165 @@
+cmake_minimum_required(VERSION 3.18)
+
+# Match native dependency builds unless the caller selects a deployment target.
+if(APPLE AND NOT DEFINED CMAKE_OSX_DEPLOYMENT_TARGET AND
+   "$ENV{MACOSX_DEPLOYMENT_TARGET}" STREQUAL "")
+  execute_process(COMMAND sw_vers -productVersion
+                  OUTPUT_VARIABLE BURNMAN_HOST_MACOS_VERSION
+                  OUTPUT_STRIP_TRAILING_WHITESPACE)
+  set(CMAKE_OSX_DEPLOYMENT_TARGET "${BURNMAN_HOST_MACOS_VERSION}"
+      CACHE STRING "Minimum supported macOS version")
+endif()
+# Keep the installed package metadata and native __version__ in agreement.
+file(STRINGS "${CMAKE_CURRENT_SOURCE_DIR}/pyproject.toml" BURNMAN_VERSION_LINE
+     REGEX "^version = ")
+string(REGEX MATCH "[0-9]+\\.[0-9]+\\.[0-9]+" BURNMAN_VERSION "${BURNMAN_VERSION_LINE}")
+project(burnman_cpp VERSION ${BURNMAN_VERSION} LANGUAGES C CXX)
+
+option(BURNMAN_BUILD_PYTHON "Build the Python extension" ON)
+option(BURNMAN_BUILD_TESTS "Build the C++ unit tests" OFF)
+option(BURNMAN_BUILD_BENCHMARKS "Build the C++ performance benchmarks" OFF)
+option(BURNMAN_WARNINGS_AS_ERRORS "Treat project compiler warnings as errors" OFF)
+
+function(burnman_compiler_warnings target)
+  if(CMAKE_CXX_COMPILER_ID MATCHES "GNU|Clang")
+    target_compile_options(${target} PRIVATE -Wall -Wextra -Wpedantic -Wshadow -Wconversion)
+    if(BURNMAN_WARNINGS_AS_ERRORS)
+      target_compile_options(${target} PRIVATE -Werror)
+    endif()
+  elseif(MSVC)
+    target_compile_options(${target} PRIVATE /W4)
+    if(BURNMAN_WARNINGS_AS_ERRORS)
+      target_compile_options(${target} PRIVATE /WX)
+    endif()
+  endif()
+endfunction()
+
+# Let CMake find standard Homebrew installations as well as system packages.
+set(BURNMAN_WHEEL_DEPENDENCIES "" CACHE PATH "Private prefix for wheel dependencies")
+if(BURNMAN_WHEEL_DEPENDENCIES)
+  list(PREPEND CMAKE_PREFIX_PATH "${BURNMAN_WHEEL_DEPENDENCIES}")
+  set(GSL_ROOT_DIR "${BURNMAN_WHEEL_DEPENDENCIES}")
+  set(HDF5_ROOT "${BURNMAN_WHEEL_DEPENDENCIES}")
+endif()
+if(APPLE)
+  list(APPEND CMAKE_PREFIX_PATH /opt/homebrew /usr/local)
+endif()
+find_package(Eigen3 REQUIRED NO_MODULE)
+if(Eigen3_VERSION VERSION_LESS 3.4)
+  message(FATAL_ERROR "BurnMan requires Eigen >= 3.4 (found ${Eigen3_VERSION})")
+endif()
+find_package(GSL REQUIRED)
+find_package(HDF5 1.10 REQUIRED COMPONENTS C)
+find_path(NLOPT_INCLUDE_DIR NAMES nlopt.hpp REQUIRED)
+find_library(NLOPT_LIBRARY NAMES nlopt REQUIRED)
+find_path(CDD_INCLUDE_DIR NAMES cdd.h PATH_SUFFIXES cddlib cdd REQUIRED)
+find_library(CDD_GMP_LIBRARY NAMES cddgmp REQUIRED)
+find_path(GMP_INCLUDE_DIR NAMES gmp.h REQUIRED)
+find_library(GMP_LIBRARY NAMES gmp REQUIRED)
+
+file(GLOB_RECURSE BURNMAN_SOURCES CONFIGURE_DEPENDS src/*.cpp)
+add_library(burnman_core STATIC ${BURNMAN_SOURCES})
+target_compile_features(burnman_core PUBLIC cxx_std_17)
+target_include_directories(burnman_core PUBLIC ${CMAKE_CURRENT_SOURCE_DIR}/include)
+target_link_libraries(burnman_core PUBLIC Eigen3::Eigen GSL::gsl GSL::gslcblas)
+target_include_directories(burnman_core SYSTEM PRIVATE ${CDD_INCLUDE_DIR} ${GMP_INCLUDE_DIR} ${NLOPT_INCLUDE_DIR})
+target_link_libraries(burnman_core PUBLIC ${CDD_GMP_LIBRARY} ${GMP_LIBRARY} ${NLOPT_LIBRARY})
+target_include_directories(burnman_core SYSTEM BEFORE PRIVATE ${HDF5_INCLUDE_DIRS})
+target_link_libraries(burnman_core PUBLIC ${HDF5_LIBRARIES})
+
+# Embed the HDF5 file images for standalone C++ and installed Python use.
+# CMake performs this step without requiring h5py or a Python interpreter.
+function(burnman_covariance_data name dataset)
+  set(input "${CMAKE_CURRENT_SOURCE_DIR}/src/data/input_covariance/${dataset}_cov.h5")
+  set(output "${CMAKE_CURRENT_BINARY_DIR}/generated/${name}_covariance_data.hpp")
+  set(script "${CMAKE_CURRENT_SOURCE_DIR}/cmake/EmbedCovariance.cmake")
+  add_custom_command(OUTPUT "${output}"
+    COMMAND "${CMAKE_COMMAND}" "-DNAME=${name}" "-DINPUT=${input}"
+            "-DOUTPUT=${output}" -P "${script}"
+    DEPENDS "${input}" "${script}"
+    VERBATIM)
+  target_sources(burnman_core PRIVATE "${output}")
+endfunction()
+burnman_covariance_data(HP_2011_ds62 HP_2011_ds62)
+burnman_covariance_data(HGP_2018_ds633 HGP_2018_ds633)
+burnman_covariance_data(HPx_ds636 HPx_ds636)
+target_include_directories(burnman_core PRIVATE "${CMAKE_CURRENT_BINARY_DIR}/generated")
+set_target_properties(burnman_core PROPERTIES POSITION_INDEPENDENT_CODE ON)
+burnman_compiler_warnings(burnman_core)
+
+if(BURNMAN_BUILD_PYTHON)
+  find_package(Python REQUIRED COMPONENTS Interpreter Development.Module)
+  find_package(pybind11 3.0 CONFIG REQUIRED)
+  pybind11_add_module(_core
+    python/bindings/module.cpp
+    python/bindings/params.cpp
+    python/bindings/eos.cpp
+    python/bindings/thermal_components.cpp
+    python/bindings/materials.cpp
+    python/bindings/anisotropy.cpp
+    python/bindings/anisotropic_mineral.cpp
+    python/bindings/hyperelastic.cpp
+    python/bindings/anisotropic_solution.cpp
+    python/bindings/relaxed_anisotropic_solution.cpp
+    python/bindings/composition.cpp
+    python/bindings/calibrants.cpp
+    python/bindings/linear_fitting.cpp
+    python/bindings/nonlinear_fitting.cpp
+    python/bindings/eos_fitting.cpp
+    python/bindings/composition_fitting.cpp
+    python/bindings/thermobarometry.cpp
+    python/bindings/chemistry.cpp
+    python/bindings/equilibrated_composite.cpp
+    python/bindings/combined.cpp
+    python/bindings/modifiers.cpp
+    python/bindings/solutions.cpp
+    python/bindings/minerals.cpp
+    python/bindings/utils.cpp
+    python/bindings/model_sets.cpp
+    python/bindings/seismic.cpp
+    python/bindings/geotherm.cpp
+    python/bindings/layer.cpp
+    python/bindings/planet.cpp
+    python/bindings/polytope.cpp
+    python/bindings/phase_diagram.cpp
+    python/bindings/equilibration.cpp)
+  target_link_libraries(_core PRIVATE burnman_core)
+  set_target_properties(_core PROPERTIES INSTALL_RPATH_USE_LINK_PATH TRUE)
+  target_compile_definitions(_core PRIVATE BURNMAN_VERSION="${PROJECT_VERSION}")
+  burnman_compiler_warnings(_core)
+  install(TARGETS _core LIBRARY DESTINATION burnman_cpp RUNTIME DESTINATION burnman_cpp)
+  if(BURNMAN_WHEEL_DEPENDENCIES)
+    # Let the wheel repair tool find libraries that use relative install names.
+    set_target_properties(_core PROPERTIES
+                          INSTALL_RPATH "${BURNMAN_WHEEL_DEPENDENCIES}/lib")
+    install(DIRECTORY "${BURNMAN_WHEEL_DEPENDENCIES}/share/licenses/"
+            DESTINATION burnman_cpp/native_licenses)
+  endif()
+endif()
+
+if(BURNMAN_BUILD_TESTS OR BURNMAN_BUILD_BENCHMARKS)
+  enable_testing()
+  find_package(Catch2 3.4 REQUIRED)
+endif()
+
+if(BURNMAN_BUILD_TESTS)
+  file(GLOB_RECURSE BURNMAN_TEST_SOURCES CONFIGURE_DEPENDS tests/*.cpp)
+  add_executable(burnman_tests ${BURNMAN_TEST_SOURCES})
+  target_include_directories(burnman_tests PRIVATE tests/include)
+  target_link_libraries(burnman_tests PRIVATE burnman_core Catch2::Catch2WithMain)
+  burnman_compiler_warnings(burnman_tests)
+  add_test(NAME burnman_tests COMMAND burnman_tests)
+endif()
+
+if(BURNMAN_BUILD_BENCHMARKS)
+  file(GLOB_RECURSE BURNMAN_BENCHMARK_SOURCES CONFIGURE_DEPENDS benchmarks/*.cpp)
+  add_executable(burnman_benchmarks ${BURNMAN_BENCHMARK_SOURCES} tests/test_main.cpp)
+  target_include_directories(burnman_benchmarks PRIVATE tests/include)
+  target_link_libraries(burnman_benchmarks PRIVATE burnman_core Catch2::Catch2WithMain)
+  burnman_compiler_warnings(burnman_benchmarks)
+  add_test(NAME burnman_benchmarks COMMAND burnman_benchmarks "[!benchmark]"
+    --benchmark-samples 20 --benchmark-resamples 1000 --benchmark-warmup-time 10
+    --reporter "xml::out=${CMAKE_CURRENT_BINARY_DIR}/benchmark-report.xml"
+    --reporter console)
+  set_tests_properties(burnman_benchmarks PROPERTIES LABELS benchmarks TIMEOUT 300)
+endif()