Addressing reviews and fixing github tests

.github/workflows/build-and-test.yml

@@ -10,10 +10,11 @@ jobs:
   build-and-test:
     strategy:
       matrix:
-        compiler: [gfortran8, gfortran9, gfortran10]
+        compiler: [gfortran10, gfortran11, gfortran12]
     runs-on: ubuntu-20.04
     container:
       image: mikolajkowalski/scone-test:${{matrix.compiler}}_pfu4
+      options: --env OMPI_ALLOW_RUN_AS_ROOT=1 --env OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1
     steps:
       - uses: actions/checkout@v3
       - name: CompileAndTest
@@ -22,12 +23,13 @@ jobs:
           cd build
           cmake ..
           make -j
-          make test
+          ctest --output-on-faliure
           cd -
   build-and-test-debug:
     runs-on: ubuntu-20.04
     container:
-      image: mikolajkowalski/scone-test:gfortran10_pfu4
+      image: mikolajkowalski/scone-test:gfortran12_pfu4
+      options: --env OMPI_ALLOW_RUN_AS_ROOT=1 --env OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1
     steps:
       - uses: actions/checkout@v3
       - name: CompileAndTest
@@ -36,12 +38,13 @@ jobs:
           cd build
           cmake -DDEBUG=ON ..
           make -j
-          make test
+          ctest --output-on-faliure
           cd -
   build-and-test-no-openmp:
     runs-on: ubuntu-20.04
     container:
-      image: mikolajkowalski/scone-test:gfortran10_pfu4
+      image: mikolajkowalski/scone-test:gfortran12_pfu4
+      options: --env OMPI_ALLOW_RUN_AS_ROOT=1 --env OMPI_ALLOW_RUN_AS_ROOT_CONFIRM=1
     steps:
       - uses: actions/checkout@v3
       - name: CompileAndTest
@@ -50,5 +53,19 @@ jobs:
           cd build
           cmake -DOPENMP=OFF ..
           make -j
-          make test
+          ctest --output-on-faliure
+          cd -
+  build-and-test-no-mpi:
+    runs-on: ubuntu-20.04
+    container:
+      image: mikolajkowalski/scone-test:gfortran12_pfu4
+    steps:
+      - uses: actions/checkout@v3
+      - name: CompileAndTest
+        run : |
+          mkdir build
+          cd build
+          cmake -DMPI=OFF ..
+          make -j
+          ctest --output-on-faliure
           cd -

.gitignore

@@ -7,6 +7,7 @@ cream.egg-info/
 Build
 build
 
-# Ignore all hidden files (except gitignore)
+# Ignore all hidden files (except gitignore and the github folder)
 .*
 !/.gitignore
+!/.github/*

CMakeLists.txt

@@ -92,7 +92,7 @@ endif()
 # Add environmental variable to default search directories
 list(APPEND CMAKE_PREFIX_PATH $ENV{LAPACK_INSTALL})
 
-find_package(LAPACK REQUIRED )
+find_package(LAPACK REQUIRED)
 message(STATUS ${LAPACK_LIBRARIES})
 
 # Dependencies for BUILD_TESTS
@@ -144,9 +144,10 @@ get_property(SRCS GLOBAL PROPERTY SRCS_LIST)
 
 # Compile library
 add_library(scone STATIC ${SRCS})
-target_compile_options(scone PRIVATE ${scone_extra_flags} )
-target_link_libraries(scone PUBLIC ${LAPACK_LIBRARIES} )
+target_compile_options(scone PRIVATE ${scone_extra_flags})
+target_link_libraries(scone PUBLIC ${LAPACK_LIBRARIES})
 if(MPI)
+  add_compile_definitions(MPI)
   target_link_libraries(scone PUBLIC MPI::MPI_Fortran)
 endif()
 
@@ -156,8 +157,8 @@ endif()
 
 ####################################################################################################
 # COMPILE SOLVERS
-add_executable(scone.out ./Apps/scone.f90 )
-target_link_libraries(scone.out scone )
+add_executable(scone.out ./Apps/scone.f90)
+target_link_libraries(scone.out scone)
 
 ####################################################################################################
 # COMPILE UNIT TESTS
@@ -172,16 +173,22 @@ if(BUILD_TESTS)
     list(APPEND UNIT_TESTS_RELATIVE ${_testPath})
   endforeach()
 
+  if(MPI)
+    set(MAX_PES_OPTION MAX_PES 1)
+  else()
+    set(MAX_PES_OPTION "")
+  endif()
+
   add_pfunit_ctest(unitTests
     TEST_SOURCES ${UNIT_TESTS_RELATIVE}
     LINK_LIBRARIES scone
-    MAX_PES 1
+    ${MAX_PES_OPTION}
     )
 
   # pFUnit may have a bug which causes a unused variable `class(Test), allocatable :: t` be
   # present if the suite contains only a TestCase and its methods
   # We need to suppress this warning for clarity
-  target_compile_options(unitTests PRIVATE "-Wno-unused-variable" )
+  target_compile_options(unitTests PRIVATE "-Wno-unused-variable")
 
 ####################################################################################################
 # COMPILE INTEGRATION TESTS
@@ -203,7 +210,7 @@ if(BUILD_TESTS)
   # pFUnit may have a bug which causes a unused variable `class(Test), allocatable :: t` be
   # present if the suite contains only a TestCase and its methods
   # We need to suppress this warning for clarity
-  target_compile_options(integrationTests PRIVATE "-Wno-unused-variable" )
+  target_compile_options(integrationTests PRIVATE "-Wno-unused-variable")
 
 endif()
 

DataStructures/heapQueue_class.f90

@@ -96,14 +96,21 @@ subroutine push(self, val)
     self % size = self % size + 1
     self % heap(self % size) = val
 
+    ! If the heap is of size 1 there is no need to order it
+    ! Also, avoid test fail in debug mode, since parent would be 0 and the
+    ! code is looking for self % heap(parent) inside the while condition
+    if (self % size == 1) return
+
     ! Shift the new value up the heap to restore the heap property
     child = self % size
     parent = child / 2
 
-    do while (child > 1 .and. self % heap(parent) < self % heap(child))
+    do while (self % heap(parent) < self % heap(child))
       call swap(self % heap(parent), self % heap(child))
       child = parent
       parent = child / 2
+      ! As above: avoid error in debug mode, caused by trying to access self % heap(0)
+      if (parent == 0) return
     end do
 
   end subroutine push

NuclearData/mgNeutronData/baseMgNeutron/Tests/baseMgNeutronDatabase_iTest.f90

@@ -7,6 +7,7 @@ module baseMgNeutronDatabase_iTest
   use dictionary_class,   only : dictionary
   use dictParser_func,    only : charToDict
   use particle_class,     only : particle
+  use RNG_class,          only : RNG
 
   ! Nuclear Data Objects & Interfaces
   use baseMgNeutronDatabase_class, only : baseMgNeutronDatabase, baseMgNeutronDatabase_CptrCast, &
@@ -59,12 +60,12 @@ subroutine testBaseMgNeutronDatabaseWithP0()
     type(dictionary)                     :: matMenuDict
     type(particle)                       :: p
     type(neutronMacroXSs)                :: xss
+    type(RNG), target                    :: pRNG
     type(baseMgNeutronMaterial),pointer  :: mat
     class(baseMgNeutronMaterial),pointer :: matClass
     class(reactionHandle), pointer       :: reac
     real(defReal),parameter :: TOL = 1.0E-6_defReal
 
-
     data_ptr => database
 
     ! Load materialMenu
@@ -81,6 +82,8 @@ subroutine testBaseMgNeutronDatabaseWithP0()
     @assertEqual(4, database % nGroups())
 
     ! Test getting Transport XS
+    ! Associate pointer to pass tests in debug mode
+    p % pRNG => pRNG
     p % G = 1
     @assertEqual(2.1_defReal, database % getTrackingXS(p, 1, MATERIAL_XS), TOL)
 
@@ -185,12 +188,12 @@ subroutine testBaseMgNeutronDatabaseWithP1()
     type(dictionary)                     :: matMenuDict
     type(particle)                       :: p
     type(neutronMacroXSs)                :: xss
+    type(RNG), target                    :: pRNG
     type(baseMgNeutronMaterial),pointer  :: mat
     class(baseMgNeutronMaterial),pointer :: matClass
     class(reactionHandle), pointer       :: reac
     real(defReal),parameter :: TOL = 1.0E-6_defReal
 
-
     data_ptr => database
 
     ! Load materialMenu
@@ -207,6 +210,8 @@ subroutine testBaseMgNeutronDatabaseWithP1()
     @assertEqual(4, database % nGroups())
 
     ! Test getting Transport XS
+    ! Associate pointer to pass tests in debug mode
+    p % pRNG => pRNG
     p % G = 1
     @assertEqual(2.1_defReal, database % getTrackingXS(p, 1, MATERIAL_XS), TOL)
 

NuclearData/mgNeutronData/mgNeutronMaterial_inter.f90

@@ -111,11 +111,15 @@ subroutine getMacroXSs_byP(self, xss, p)
     class(mgNeutronMaterial), intent(in) :: self
     type(neutronMacroXSs), intent(out)   :: xss
     class(particle), intent(in)          :: p
+    integer(shortInt)                    :: matIdx
     character(100), parameter :: Here = 'getMacroXSs_byP (mgNeutronMateerial_inter.f90)'
 
     if (.not. p % isMG) call fatalError(Here, 'CE particle was given to MG data')
 
-    associate (matCache => cache_materialCache(p % matIdx()))
+    ! Store p % matIdx() in a dedicated variable to avoid compilation errors with gfortran >= 13.2
+    matIdx = p % matIdx()
+
+    associate (matCache => cache_materialCache(matIdx))
 
       if (matCache % G_tail /= p % G) then
         ! Get cross sections

ParticleObjects/Tests/particleDungeon_test.f90

@@ -4,7 +4,9 @@ module particleDungeon_test
   use RNG_class,             only : RNG
   use particle_class,        only : particle, particleState
   use particleDungeon_class, only : particleDungeon
+#ifdef MPI
   use mpi_func,              only : mpiInitTypes, MPI_COMM_WORLD
+#endif
   use funit
 
   implicit none
@@ -213,13 +215,18 @@ subroutine testNormPopDown()
     real(defReal), parameter :: TOL = 1.0E-9
     character(100),parameter :: Here = 'testNormPopDown (particleDungeon_test.f90)'
 
+#ifdef MPI
     call mpi_comm_size(MPI_COMM_WORLD, worldSize, ierr)
 
     if (worldSize > 1) &
       call fatalError(Here, 'This test cannot be run with multiple MPI processes')
 
     ! Initialise MPI types needed for this procedure
+    ! NOTE: This is necessary because the normalisation uses some mpi procedure
+    ! with data types manually defined inside mpiInitTypes. During the tests,
+    ! mpiInit and mpiInitTypes aren't called, so this is done manually here
     call mpiInitTypes()
+#endif
 
     ! Initialise
     call dungeon % init(10)
@@ -260,10 +267,12 @@ subroutine testNormPopUp()
     real(defReal), parameter :: TOL = 1.0E-9
     character(100),parameter :: Here = 'testNormPopUp (particleDungeon_test.f90)'
 
+#ifdef MPI
     call mpi_comm_size(MPI_COMM_WORLD, worldSize, ierr)
 
     if (worldSize > 1) &
       call fatalError(Here, 'This test cannot be run with multiple MPI processes')
+#endif
 
     ! Initialise
     call dungeon % init(20)