merge latest develop

.git_archival.txt

@@ -0,0 +1,3 @@
+commit: $Format:%H$
+commit-date: $Format:%cI$
+describe-name: $Format:%(describe:tags=true,match=*[0-9]*)$

.gitattributes

@@ -0,0 +1 @@
+.git_archival.txt  export-subst

.github/ISSUE_TEMPLATE/feature_request.md

@@ -1,5 +1,5 @@
 ---
-name: Feature request
+name: Feature or enhancement request
 about: Suggest a new feature or enhancement to existing capabilities
 title: ''
 labels: ''

.github/workflows/ci.yml

@@ -25,54 +25,43 @@ jobs:
     runs-on: ubuntu-22.04
     strategy:
       matrix:
-        python-version: ["3.10"]
+        python-version: ["3.11"]
         mpi: [n, y]
         omp: [n, y]
         dagmc: [n]
-        ncrystal: [n]
         libmesh: [n]
         event: [n]
         vectfit: [n]
 
         include:
-          - python-version: "3.8"
-            omp: n
-            mpi: n
-          - python-version: "3.9"
-            omp: n
-            mpi: n
-          - python-version: "3.11"
+          - python-version: "3.12"
             omp: n
             mpi: n
-          - python-version: "3.12"
+          - python-version: "3.13"
             omp: n
             mpi: n
           - dagmc: y
-            python-version: "3.10"
+            python-version: "3.11"
             mpi: y
             omp: y
-          - ncrystal: y
-            python-version: "3.10"
-            mpi: n
-            omp: n
           - libmesh: y
-            python-version: "3.10"
+            python-version: "3.11"
             mpi: y
             omp: y
           - libmesh: y
-            python-version: "3.10"
+            python-version: "3.11"
             mpi: n
             omp: y
           - event: y
-            python-version: "3.10"
+            python-version: "3.11"
             omp: y
             mpi: n
           - vectfit: y
-            python-version: "3.10"
+            python-version: "3.11"
             omp: n
             mpi: y
     name: "Python ${{ matrix.python-version }} (omp=${{ matrix.omp }},
-      mpi=${{ matrix.mpi }}, dagmc=${{ matrix.dagmc }}, ncrystal=${{ matrix.ncrystal }},
+      mpi=${{ matrix.mpi }}, dagmc=${{ matrix.dagmc }},
       libmesh=${{ matrix.libmesh }}, event=${{ matrix.event }}
       vectfit=${{ matrix.vectfit }})"
 
@@ -81,7 +70,6 @@ jobs:
       PHDF5: ${{ matrix.mpi }}
       OMP: ${{ matrix.omp }}
       DAGMC: ${{ matrix.dagmc }}
-      NCRYSTAL: ${{ matrix.ncrystal }}
       EVENT: ${{ matrix.event }}
       VECTFIT: ${{ matrix.vectfit }}
       LIBMESH: ${{ matrix.libmesh }}
@@ -93,7 +81,10 @@ jobs:
       RDMAV_FORK_SAFE: 1
 
     steps:
-      - uses: actions/checkout@v4
+      - name: Checkout repository
+        uses: actions/checkout@v4
+        with:
+          fetch-depth: 0
 
       - name: Set up Python ${{ matrix.python-version }}
         uses: actions/setup-python@v5
@@ -102,9 +93,18 @@ jobs:
 
       - name: Environment Variables
         run: |
-          echo "DAGMC_ROOT=$HOME/DAGMC"
           echo "OPENMC_CROSS_SECTIONS=$HOME/nndc_hdf5/cross_sections.xml" >> $GITHUB_ENV
           echo "OPENMC_ENDF_DATA=$HOME/endf-b-vii.1" >> $GITHUB_ENV
+          # get the sha of the last branch commit
+          # for push and workflow_dispatch events, use the current reference head
+          BRANCH_SHA=HEAD
+          # for a pull_request event, use the last reference of the parents of the merge commit
+          if [ "${{ github.event_name }}" == "pull_request" ]; then
+            BRANCH_SHA=$(git rev-list --parents -n 1 HEAD | rev | cut -d" " -f 1 | rev)
+          fi
+          COMMIT_MESSAGE=$(git log $BRANCH_SHA -1 --pretty=%B | tr '\n' ' ')
+          echo ${COMMIT_MESSAGE}
+          echo "COMMIT_MESSAGE=${COMMIT_MESSAGE}" >> $GITHUB_ENV
 
       - name: Apt dependencies
         shell: bash
@@ -137,6 +137,11 @@ jobs:
           echo "$HOME/NJOY2016/build" >> $GITHUB_PATH
           $GITHUB_WORKSPACE/tools/ci/gha-install.sh
 
+      - name: display-config
+        shell: bash
+        run: |
+          openmc -v
+
       - name: cache-xs
         uses: actions/cache@v4
         with:
@@ -155,6 +160,12 @@ jobs:
           CTEST_OUTPUT_ON_FAILURE=1 make test -C $GITHUB_WORKSPACE/build/
           $GITHUB_WORKSPACE/tools/ci/gha-script.sh
 
+      - name: Setup tmate debug session
+        continue-on-error: true
+        if: ${{ contains(env.COMMIT_MESSAGE, '[gha-debug]') }}
+        uses: mxschmitt/action-tmate@v3
+        timeout-minutes: 10
+
       - name: after_success
         shell: bash
         run: |

.gitmodules

@@ -1,9 +1,6 @@
 [submodule "vendor/pugixml"]
 	path = vendor/pugixml
 	url = https://github.com/zeux/pugixml.git
-[submodule "vendor/gsl-lite"]
-	path = vendor/gsl-lite
-	url = https://github.com/martinmoene/gsl-lite.git
 [submodule "vendor/xtensor"]
 	path = vendor/xtensor
 	url = https://github.com/xtensor-stack/xtensor.git

.readthedocs.yaml

@@ -1,13 +1,18 @@
 version: 2
 
 build:
-  os: "ubuntu-20.04"
+  os: "ubuntu-24.04"
   tools:
-    python: "3.9"
-
+    python: "3.12"
+  jobs:
+    post_checkout:
+      - git fetch --unshallow || true
 sphinx:
   configuration: docs/source/conf.py
 
 python:
   install:
-    - requirements: docs/requirements-rtd.txt
+    - method: pip
+      path: .
+      extra_requirements:
+        - docs

CMakeLists.txt

@@ -1,26 +1,25 @@
-cmake_minimum_required(VERSION 3.10 FATAL_ERROR)
+cmake_minimum_required(VERSION 3.16 FATAL_ERROR)
 project(openmc C CXX)
 
-# Set version numbers
-set(OPENMC_VERSION_MAJOR 0)
-set(OPENMC_VERSION_MINOR 14)
-set(OPENMC_VERSION_RELEASE 1)
-set(OPENMC_VERSION ${OPENMC_VERSION_MAJOR}.${OPENMC_VERSION_MINOR}.${OPENMC_VERSION_RELEASE})
+# Set module path
+set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/cmake/Modules)
+
+include(GetVersionFromGit)
+
+# Output version information
+message(STATUS "OpenMC version: ${OPENMC_VERSION}")
+message(STATUS "OpenMC dev state: ${OPENMC_DEV_STATE}")
+message(STATUS "OpenMC commit hash: ${OPENMC_COMMIT_HASH}")
+message(STATUS "OpenMC commit count: ${OPENMC_COMMIT_COUNT}")
+
+# Generate version.h
 configure_file(include/openmc/version.h.in "${CMAKE_BINARY_DIR}/include/openmc/version.h" @ONLY)
 
 # Setup output directories
 set(CMAKE_ARCHIVE_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/lib)
 set(CMAKE_LIBRARY_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/lib)
 set(CMAKE_RUNTIME_OUTPUT_DIRECTORY ${CMAKE_BINARY_DIR}/bin)
 
-# Set module path
-set(CMAKE_MODULE_PATH ${CMAKE_CURRENT_SOURCE_DIR}/cmake/Modules)
-
-# Allow user to specify <project>_ROOT variables
-if (CMAKE_VERSION VERSION_GREATER_EQUAL 3.12)
-  cmake_policy(SET CMP0074 NEW)
-endif()
-
 # Enable correct usage of CXX_EXTENSIONS
 if (CMAKE_VERSION VERSION_GREATER_EQUAL 3.22)
   cmake_policy(SET CMP0128 NEW)
@@ -38,9 +37,18 @@ option(OPENMC_USE_DAGMC       "Enable support for DAGMC (CAD) geometry"
 option(OPENMC_USE_LIBMESH     "Enable support for libMesh unstructured mesh tallies" OFF)
 option(OPENMC_USE_MPI         "Enable MPI"                                           OFF)
 option(OPENMC_USE_MCPL        "Enable MCPL"                                          OFF)
-option(OPENMC_USE_NCRYSTAL    "Enable support for NCrystal scattering"               OFF)
 option(OPENMC_USE_UWUW        "Enable UWUW"                                          OFF)
 
+message(STATUS "OPENMC_USE_OPENMP ${OPENMC_USE_OPENMP}")
+message(STATUS "OPENMC_BUILD_TESTS ${OPENMC_BUILD_TESTS}")
+message(STATUS "OPENMC_ENABLE_PROFILE ${OPENMC_ENABLE_PROFILE}")
+message(STATUS "OPENMC_ENABLE_COVERAGE ${OPENMC_ENABLE_COVERAGE}")
+message(STATUS "OPENMC_USE_DAGMC ${OPENMC_USE_DAGMC}")
+message(STATUS "OPENMC_USE_LIBMESH ${OPENMC_USE_LIBMESH}")
+message(STATUS "OPENMC_USE_MPI ${OPENMC_USE_MPI}")
+message(STATUS "OPENMC_USE_MCPL ${OPENMC_USE_MCPL}")
+message(STATUS "OPENMC_USE_UWUW ${OPENMC_USE_UWUW}")
+
 # Warnings for deprecated options
 foreach(OLD_OPT IN ITEMS "openmp" "profile" "coverage" "dagmc" "libmesh")
   if(DEFINED ${OLD_OPT})
@@ -110,15 +118,6 @@ macro(find_package_write_status pkg)
   endif()
 endmacro()
 
-#===============================================================================
-# NCrystal Scattering Support
-#===============================================================================
-
-if(OPENMC_USE_NCRYSTAL)
-  find_package(NCrystal REQUIRED)
-  message(STATUS "Found NCrystal: ${NCrystal_DIR} (version ${NCrystal_VERSION})")
-endif()
-
 #===============================================================================
 # DAGMC Geometry Support - need DAGMC/MOAB
 #===============================================================================
@@ -226,8 +225,6 @@ endif()
 #===============================================================================
 # Update git submodules as needed
 #===============================================================================
-
-find_package(Git)
 if(GIT_FOUND AND EXISTS "${CMAKE_CURRENT_SOURCE_DIR}/.git")
   option(GIT_SUBMODULE "Check submodules during build" ON)
   if(GIT_SUBMODULE)
@@ -272,31 +269,13 @@ endif()
 # xtensor header-only library
 #===============================================================================
 
-# CMake 3.13+ will complain about policy CMP0079 unless it is set explicitly
-if (CMAKE_VERSION VERSION_GREATER_EQUAL 3.13)
-  cmake_policy(SET CMP0079 NEW)
-endif()
-
 find_package_write_status(xtensor)
 if (NOT xtensor_FOUND)
   add_subdirectory(vendor/xtl)
   set(xtl_DIR ${CMAKE_CURRENT_BINARY_DIR}/vendor/xtl)
   add_subdirectory(vendor/xtensor)
 endif()
 
-#===============================================================================
-# GSL header-only library
-#===============================================================================
-
-find_package_write_status(gsl-lite)
-if (NOT gsl-lite_FOUND)
-  add_subdirectory(vendor/gsl-lite)
-
-  # Make sure contract violations throw exceptions
-  target_compile_definitions(gsl-lite-v1 INTERFACE GSL_THROW_ON_CONTRACT_VIOLATION)
-  target_compile_definitions(gsl-lite-v1 INTERFACE gsl_CONFIG_ALLOWS_NONSTRICT_SPAN_COMPARISON=1)
-endif()
-
 #===============================================================================
 # Catch2 library
 #===============================================================================
@@ -346,6 +325,7 @@ list(APPEND libopenmc_SOURCES
   src/boundary_condition.cpp
   src/bremsstrahlung.cpp
   src/cell.cpp
+  src/chain.cpp
   src/cmfd_solver.cpp
   src/cross_sections.cpp
   src/dagmc.cpp
@@ -373,6 +353,7 @@ list(APPEND libopenmc_SOURCES
   src/mgxs.cpp
   src/mgxs_interface.cpp
   src/ncrystal_interface.cpp
+  src/ncrystal_load.cpp
   src/nuclide.cpp
   src/output.cpp
   src/particle.cpp
@@ -390,6 +371,9 @@ list(APPEND libopenmc_SOURCES
   src/random_ray/random_ray_simulation.cpp
   src/random_ray/random_ray.cpp
   src/random_ray/flat_source_domain.cpp
+  src/random_ray/linear_source_domain.cpp
+  src/random_ray/moment_matrix.cpp
+  src/random_ray/source_region.cpp
   src/reaction.cpp
   src/reaction_product.cpp
   src/scattdata.cpp
@@ -424,6 +408,8 @@ list(APPEND libopenmc_SOURCES
   src/tallies/filter_meshborn.cpp
   src/tallies/filter_meshsurface.cpp
   src/tallies/filter_mu.cpp
+  src/tallies/filter_musurface.cpp
+  src/tallies/filter_parent_nuclide.cpp
   src/tallies/filter_particle.cpp
   src/tallies/filter_polar.cpp
   src/tallies/filter_sph_harm.cpp
@@ -491,22 +477,10 @@ if (OPENMC_USE_MPI)
   target_compile_definitions(libopenmc PUBLIC -DOPENMC_MPI)
 endif()
 
-# Set git SHA1 hash as a compile definition
-if(GIT_FOUND)
-  execute_process(COMMAND ${GIT_EXECUTABLE} rev-parse HEAD
-                  WORKING_DIRECTORY ${CMAKE_CURRENT_SOURCE_DIR}
-                  RESULT_VARIABLE GIT_SHA1_SUCCESS
-                  OUTPUT_VARIABLE GIT_SHA1
-                  ERROR_QUIET OUTPUT_STRIP_TRAILING_WHITESPACE)
-  if(GIT_SHA1_SUCCESS EQUAL 0)
-    target_compile_definitions(libopenmc PRIVATE -DGIT_SHA1="${GIT_SHA1}")
-  endif()
-endif()
-
 # target_link_libraries treats any arguments starting with - but not -l as
 # linker flags. Thus, we can pass both linker flags and libraries together.
 target_link_libraries(libopenmc ${ldflags} ${HDF5_LIBRARIES} ${HDF5_HL_LIBRARIES}
-                      xtensor gsl::gsl-lite-v1 fmt::fmt ${CMAKE_DL_LIBS})
+                      xtensor fmt::fmt ${CMAKE_DL_LIBS})
 
 if(TARGET pugixml::pugixml)
   target_link_libraries(libopenmc pugixml::pugixml)
@@ -517,6 +491,14 @@ endif()
 if(OPENMC_USE_DAGMC)
   target_compile_definitions(libopenmc PRIVATE DAGMC)
   target_link_libraries(libopenmc dagmc-shared)
+
+  if(OPENMC_USE_UWUW)
+    target_compile_definitions(libopenmc PRIVATE OPENMC_UWUW)
+    target_link_libraries(libopenmc uwuw-shared)
+  endif()
+elseif(OPENMC_USE_UWUW)
+  set(OPENMC_USE_UWUW OFF)
+  message(FATAL_ERROR "DAGMC must be enabled when UWUW is enabled.")
 endif()
 
 if(OPENMC_USE_LIBMESH)
@@ -548,16 +530,6 @@ if (OPENMC_USE_MCPL)
   target_link_libraries(libopenmc MCPL::mcpl)
 endif()
 
-if(OPENMC_USE_NCRYSTAL)
-  target_compile_definitions(libopenmc PRIVATE NCRYSTAL)
-  target_link_libraries(libopenmc NCrystal::NCrystal)
-endif()
-
-if (OPENMC_USE_UWUW)
-  target_compile_definitions(libopenmc PRIVATE UWUW)
-  target_link_libraries(libopenmc uwuw-shared)
-endif()
-
 #===============================================================================
 # Log build info that this executable can report later
 #===============================================================================
@@ -580,9 +552,9 @@ target_compile_options(openmc PRIVATE ${cxxflags})
 target_include_directories(openmc PRIVATE ${CMAKE_BINARY_DIR}/include)
 target_link_libraries(openmc libopenmc)
 
-# Ensure C++14 standard is used and turn off GNU extensions
-target_compile_features(openmc PUBLIC cxx_std_14)
-target_compile_features(libopenmc PUBLIC cxx_std_14)
+# Ensure C++17 standard is used and turn off GNU extensions
+target_compile_features(openmc PUBLIC cxx_std_17)
+target_compile_features(libopenmc PUBLIC cxx_std_17)
 set_target_properties(openmc libopenmc PROPERTIES CXX_EXTENSIONS OFF)
 
 #===============================================================================