njoy · whaeck · Apr 24, 2024 · Aug 1, 2023 · Aug 16, 2023 · Aug 21, 2023
diff --git a/.github/workflows/ContinuousIntegration.yml b/.github/workflows/ContinuousIntegration.yml
@@ -16,20 +16,20 @@ jobs:
     runs-on: ${{matrix.os}}
     strategy:
       matrix:
-        os: [ ubuntu-18.04, macos-10.15 ]
-        cxx: [ clang++, g++-9 ]
+        os: [ ubuntu-20.04, macos-11 ]
+        cxx: [ clang++, g++-10 ]
         build_type: [ Debug, Release ]
 
     steps:
     - name: which CXX
       run: |
         which ${{matrix.cxx}}
         ${{matrix.cxx}} --version
-    - uses: actions/checkout@v2
+    - uses: actions/checkout@v4
     - name: mkdir bin
       run: mkdir bin
     - name: cmake
-      run: cmake -D CMAKE_CXX_COMPILER=`which ${{matrix.cxx}}` -D CMAKE_BUILD_TYPE=${{matrix.build_type}} ..
+      run: cmake -DPYTHON_EXECUTABLE=$(which python3) -D CMAKE_CXX_COMPILER=`which ${{matrix.cxx}}` -D CMAKE_BUILD_TYPE=${{matrix.build_type}} -D ACEtk.tests=ON -D ACEtk.python=ON ..
       working-directory: ./bin
     - name: make
       run: make -j2

diff --git a/CMakeLists.txt b/CMakeLists.txt
@@ -3,8 +3,20 @@
 ########################################################################
 
 cmake_minimum_required( VERSION 3.14 )
-project( ACEtk LANGUAGES CXX )
 
+set( subproject OFF )
+if( DEFINED PROJECT_NAME )
+  set( subproject ON )
+endif()
+
+project( ACEtk
+  VERSION 1.0.0
+  LANGUAGES CXX
+)
+
+include( CTest )
+include( CMakeDependentOption )
+include( GNUInstallDirs )
 
 ########################################################################
 # Project-wide setup
@@ -13,19 +25,19 @@ project( ACEtk LANGUAGES CXX )
 set( CMAKE_CXX_STANDARD 17 )
 set( CMAKE_CXX_STANDARD_REQUIRED YES )
 
-option( ACEtk_unit_tests
-    "Compile the ACEtk unit tests and integrate with ctest" ON
-    )
-option( strict_compile
-    "Treat all warnings as errors." ON
-    )
-
-# Compile flags
-set( common_flags "-Wall" "-Wextra" "-Wpedantic" )
-set( strict_flags "-Werror" )
-set( release_flags "-O3" )
-set( debug_flags "-O0" "-g" )
-
+cmake_dependent_option(
+  ACEtk.tests
+  "Build the ACEtk unit tests and integrate with ctest" ON
+  "BUILD_TESTING AND NOT ${subproject}" OFF
+)
+cmake_dependent_option(
+  ACEtk.python
+  "Build ACEtk python bindings" ON
+  "NOT ${subproject} OR DEFINED require.ACEtk.python " OFF
+)
+if ( ACEtk.python )
+  set( require.tools.python CACHE BOOL ON )
+endif()
 
 ########################################################################
 # Dependencies
@@ -54,31 +66,163 @@ endif()
 # Project targets
 ########################################################################
 
-add_library( ACEtk INTERFACE
-    )
-target_include_directories( ACEtk INTERFACE src/ )
+# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ACEtk : library
+# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+
+add_library( ACEtk INTERFACE )
+add_library( njoy::ACEtk ALIAS ACEtk )
+target_include_directories( ACEtk
+  INTERFACE
+    $<BUILD_INTERFACE:${CMAKE_CURRENT_LIST_DIR}/src>
+    $<INSTALL_INTERFACE:${CMAKE_INSTALL_INCLUDEDIR}>
+)
 target_link_libraries( ACEtk
-    INTERFACE Log
-    INTERFACE catch-adapter
-    INTERFACE date-adapter
-    INTERFACE dimwits
-    INTERFACE disco
-    INTERFACE interpolation
-    INTERFACE hana-adapter
-    INTERFACE header-utilities
-    INTERFACE range-v3-adapter
-    )
+  INTERFACE
+    njoy::tools
+)
 
+# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
+# ACEtk : python bindings
+# - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - -
 
-#######################################################################
-# Top-level Only
-#######################################################################
+if( ACEtk.python )
 
-if( CMAKE_SOURCE_DIR STREQUAL CMAKE_CURRENT_SOURCE_DIR )
+  FetchContent_MakeAvailable(
+    pybind11
+    )
 
-    # unit testing
-    if( ACEtk_unit_tests )
-        include( cmake/unit_testing.cmake )
-    endif()
+  pybind11_add_module( ACEtk.python
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/ACEtk.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/XsdirEntry.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/Xsdir.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/Header.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/Header201.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/Data.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/Table.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/ReferenceFrame.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/AngularDistributionType.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/EnergyDistributionType.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/InterpolationData.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/CrossSectionData.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/PrincipalCrossSectionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/PolynomialFissionMultiplicity.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/TabulatedFissionMultiplicity.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/FissionMultiplicityBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/ReactionNumberBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/ReactionQValueBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/FrameAndMultiplicityBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/CrossSectionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/EquiprobableAngularBins.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/TabulatedAngularDistribution.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/TabulatedAngularDistributionWithProbability.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/IsotropicAngularDistribution.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/AngularDistributionData.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/FullyIsotropicDistribution.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/DistributionGivenElsewhere.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/AngularDistributionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/SecondaryParticleAngularDistributionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/EquiprobableOutgoingEnergyBins.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/EquiprobableOutgoingEnergyBinData.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/LevelScatteringDistribution.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/DiscretePhotonDistribution.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/TabulatedEnergyDistribution.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/OutgoingEnergyDistributionData.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/GeneralEvaporationSpectrum.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/SimpleMaxwellianFissionSpectrum.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/EvaporationSpectrum.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/ParameterData.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/EnergyDependentWattSpectrum.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/TabulatedKalbachMannDistribution.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/KalbachMannDistributionData.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/NBodyPhaseSpaceDistribution.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/TwoBodyTransferDistribution.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/TabulatedEnergyAngleDistribution.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/EnergyAngleDistributionData.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/TabulatedAngleEnergyDistribution.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/AngleEnergyDistributionData.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/DistributionProbability.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/MultiDistributionData.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/EnergyDistributionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/SecondaryParticleEnergyDistributionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/DelayedNeutronPrecursorData.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/PhotonProductionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/PhotonProductionCrossSectionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/MultiplicityReactionNumberBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/TabulatedMultiplicity.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/TabulatedSecondaryParticleMultiplicity.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/PhotonProductionCrossSectionData.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/DelayedNeutronPrecursorBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/SecondaryParticleTypeBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/SecondaryParticleInformationBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/SecondaryParticleLocatorBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/SecondaryParticleProductionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/SecondaryParticleProductionCrossSectionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/ProbabilityTable.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/continuous/ProbabilityTableBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/photonuclear.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/photonuclear/PrincipalCrossSectionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/photonuclear/SecondaryParticleLocatorBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/photoatomic.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/photoatomic/PrincipalCrossSectionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/photoatomic/IncoherentScatteringFunctionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/photoatomic/CoherentFormFactorBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/photoatomic/FluorescenceDataBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/photoatomic/HeatingNumbersBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/photoatomic/ComptonProfile.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/photoatomic/ComptonProfileBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/photoatomic/PhotoelectricCrossSectionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/dosimetry.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/dosimetry/CrossSectionData.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/dosimetry/CrossSectionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/electron.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/electron/ElectronShellBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/electron/ElectronSubshellBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/electron/PrincipalCrossSectionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/electron/ElasticCrossSectionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/electron/ExcitationBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/electron/BremsstrahlungBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/electron/SubshellTransitionData.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/electron/SubshellTransitionDataBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/electron/TabulatedAngularDistribution.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/electron/ElasticAngularDistributionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/electron/TabulatedEnergyDistribution.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/electron/EnergyDistributionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/thermal.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/thermal/CrossSectionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/thermal/DiscreteCosines.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/thermal/DiscreteCosinesWithProbability.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/thermal/ElasticAngularDistributionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/thermal/InelasticAngularDistributionBlock.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/ContinuousEnergyTable.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/DosimetryTable.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/ThermalScatteringTable.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/PhotoatomicTable.python.cpp
+      ${CMAKE_CURRENT_SOURCE_DIR}/python/src/PhotonuclearTable.python.cpp
+      )
+
+  target_link_libraries( ACEtk.python PRIVATE ACEtk )
+  add_dependencies( ACEtk.python tools.python )
+  target_include_directories( ACEtk.python PRIVATE ${CMAKE_CURRENT_SOURCE_DIR}/python/src )
+  target_compile_options( ACEtk.python PRIVATE -fvisibility=hidden )
+  set_target_properties( ACEtk.python PROPERTIES OUTPUT_NAME ACEtk )
+  set_target_properties( ACEtk.python PROPERTIES COMPILE_DEFINITIONS "PYBIND11" )
+  set_target_properties( ACEtk.python PROPERTIES POSITION_INDEPENDENT_CODE ON )
+
+  message( STATUS "Building ACEtk's python API" )
+
+  list( APPEND ACEtk_PYTHONPATH ${CMAKE_CURRENT_BINARY_DIR} )
+  list( APPEND tools_PYTHONPATH ${CMAKE_CURRENT_BINARY_DIR}/_deps/tools-build )
+
+  if( ACEtk.tests )
+    include( cmake/unit_testing_python.cmake )
+  endif()
 
 endif()
+
+if( CMAKE_SOURCE_DIR STREQUAL CMAKE_CURRENT_SOURCE_DIR )
+  if( ACEtk.tests )
+    include( cmake/unit_testing.cmake )
+  endif()
+endif()