Merge pull request #340 from LLNL/feature/LEOS

Adding LEOS interface

Author: jmikeowen

RELEASE_NOTES.md

@@ -21,6 +21,8 @@ Notable changes include:
       couple damaged to undamaged material.
       * planeStrain has been removed as an option in FSISPH as part of unifying deviatoric evolution with other
         hydros.
+    * LEOS (Livermore Equation Of State) package now available in Spheral.  Requires access to the LEOS
+      package itself, which most folks outside LLNL will not necessarily have.
 
   * Build changes / improvements:
     * Native Spack environments are now being used.

cmake/InstallTPLs.cmake

@@ -158,6 +158,12 @@ else()
   add_subdirectory(${chai_DIR})
 endif()
 
+list(APPEND SPHERAL_BLT_DEPENDS chai camp RAJA umpire)
+list(APPEND SPHERAL_FP_TPLS RAJA umpire)
+list(APPEND SPHERAL_FP_DIRS ${raja_DIR} ${umpire_DIR})
+set_property(GLOBAL PROPERTY SPHERAL_FP_TPLS ${SPHERAL_FP_TPLS})
+set_property(GLOBAL PROPERTY SPHERAL_FP_DIRS ${SPHERAL_FP_DIRS})
+
 message("-----------------------------------------------------------------------------")
 # Use find_package to get Sundials
 if (ENABLE_SUNDIALS)
@@ -173,15 +179,12 @@ if (ENABLE_SUNDIALS)
   endif()
 endif()
 
-list(APPEND SPHERAL_BLT_DEPENDS chai camp RAJA umpire)
-list(APPEND SPHERAL_FP_TPLS RAJA umpire)
-list(APPEND SPHERAL_FP_DIRS ${raja_DIR} ${umpire_DIR})
-set_property(GLOBAL PROPERTY SPHERAL_FP_TPLS ${SPHERAL_FP_TPLS})
-set_property(GLOBAL PROPERTY SPHERAL_FP_DIRS ${SPHERAL_FP_DIRS})
-
 message("-----------------------------------------------------------------------------")
 # TPLs that must be imported
 list(APPEND SPHERAL_EXTERN_LIBS boost eigen qhull silo hdf5 polytope)
+if (ENABLE_LEOS)
+  list(APPEND SPHERAL_EXTERN_LIBS leos)
+endif()
 
 blt_list_append( TO SPHERAL_EXTERN_LIBS ELEMENTS aneos IF ENABLE_ANEOS)
 blt_list_append( TO SPHERAL_EXTERN_LIBS ELEMENTS opensubdiv IF ENABLE_OPENSUBDIV)

cmake/tpl/leos.cmake

@@ -0,0 +1,7 @@
+set(leos_libs libleos_C.a libleos.a liblip-cpp.a libyaml-cpp.a libleospact.a)
+# If we ever support debug TPL builds we'll need the following since the name of the libarary changes
+# if (CMAKE_BUILD_TYPE STREQUAL "Debug")
+#   list(APPEND leos_libs libyaml-cppd.a)
+# else()
+#   list(APPEND leos_libs libyaml-cpp.a)
+# endif()

scripts/spack/packages/leos/package.py

@@ -0,0 +1,27 @@
+diff -u -b -r a/interfaces/fortran/LEOS_types_F.F90 b/interfaces/fortran/LEOS_types_F.F90
+--- a/interfaces/fortran/LEOS_types_F.F90	2019-07-03 13:36:54.000000000 -0700
++++ b/interfaces/fortran/LEOS_types_F.F90	2019-10-03 14:29:04.386600979 -0700
+@@ -111,11 +111,6 @@
+     TYPE(C_ptr) :: vp = C_NULL_ptr
+   END TYPE LEOS_map_ss_C
+ 
+-  TYPE LEOS_map_sm
+-    CHARACTER, POINTER :: key(:)
+-    INTEGER(KIND(LEOS_metadataDatatype_t)) :: mtype
+-  END TYPE LEOS_map_sm
+-
+   TYPE LEOS_map_sm_C
+     TYPE(C_ptr) :: kp = C_NULL_ptr
+     INTEGER(C_int) :: mtype
+@@ -197,6 +192,11 @@
+   END ENUM
+   INTEGER(KIND(LEOS_METADATA_UNKNOWN_TYPE)) :: LEOS_metadataDatatype_t
+ 
++  TYPE LEOS_map_sm
++    CHARACTER, POINTER :: key(:)
++    INTEGER(KIND(LEOS_metadataDatatype_t)) :: mtype
++  END TYPE LEOS_map_sm
++
+   ENUM, BIND(C)
+     ENUMERATOR :: LEOS_QUIET, LEOS_BASIC, LEOS_MEDIUM, LEOS_VERBOSE
+   END ENUM

scripts/spack/packages/leos/patches/leos-8.2.0-CRAY.patch

@@ -0,0 +1,106 @@
+diff --git a/LIP/cpp_source/Implementation/LIP_MemoryManager.cpp b/LIP/cpp_source/Implementation/LIP_MemoryManager.cpp
+index 6fef6c3..7a237a3 100644
+--- a/LIP/cpp_source/Implementation/LIP_MemoryManager.cpp
++++ b/LIP/cpp_source/Implementation/LIP_MemoryManager.cpp
+@@ -36,6 +36,8 @@
+ 
+ #endif // UMPIRE_ENABLE_IPC_SHARED_MEMORY
+ 
++using LIP_Umpire_Exception = umpire::out_of_memory_error::exception;
++
+ #endif // LIP_USE_UMPIRE
+ 
+ #include "LIP_MemoryManager.hxx"
+@@ -164,7 +166,7 @@ void* MemoryManager::allocate(std::size_t nbytes, MemoryType_t mem_type,
+ #else
+       ptr = alloc.allocate(nbytes);
+ #endif
+-    } catch (umpire::util::Exception &e) {
++    } catch (LIP_Umpire_Exception &e) {
+       // Just return the nullptr.
+       // TODO: Throw exception instead?
+       std::cout << "Umpire exception at allocation: " << e.what() << std::endl;
+@@ -219,7 +221,7 @@ void MemoryManager::deallocate(void *ptr, MemoryType_t mem_type)
+       auto alloc = getUmpireAllocator(mem_type);
+       alloc.deallocate(ptr);
+ 
+-    } catch (umpire::util::Exception &e) {
++    } catch (LIP_Umpire_Exception &e) {
+       // Just catch the exception.  No way to handle this.
+       // TODO: Throw exception instead?
+       // throw e;
+@@ -272,9 +274,9 @@ void MemoryManager::real_copy(void *dest, void *src,
+     try {
+       auto &rm = umpire::ResourceManager::getInstance();
+       rm.copy(dest, src, nbytes);
+-    } catch (umpire::util::Exception e) {
++    } catch (LIP_Umpire_Exception& e) {
+ 
+-      std::string message(ERR_COPY_FAILED_S + " " + e.message() );
++      std::string message(ERR_COPY_FAILED_S + " " + e.what() );
+       status.setStatus(Status::SL_ERROR, __func__, ERR_COPY_FAILED, message);
+ 
+     }
+@@ -326,7 +328,7 @@ bool MemoryManager::isMemoryOnCPU( MemoryType_t const mem_type )
+    */
+     return( platform == umpire::Platform::host);
+ 
+-   } catch (umpire::util::Exception &e) {
++   } catch (LIP_Umpire_Exception &e) {
+ 
+      // TODO: Is there a better way to handle this? May cause crash soon after call.
+      // TODO: Throw exception instead?
+@@ -367,7 +369,7 @@ bool MemoryManager::isMemoryOnGPU( MemoryType_t const mem_type )
+     return( platform == umpire::Platform::cuda);
+ #endif
+ 
+-   } catch (umpire::util::Exception &e) {
++   } catch (LIP_Umpire_Exception &e) {
+ 
+      // TODO: Is there a better way to handle this? May cause crash soon after call.
+      // TODO: Throw exception instead?
+@@ -455,7 +457,7 @@ bool MemoryManager::isSharedMemory(MemoryType_t const mem_type)
+ 
+       is_shared = isSharedAllocator(alloc);
+ 
+-     } catch (umpire::util::Exception &e) {
++     } catch (LIP_Umpire_Exception &e) {
+ 
+        // TODO: Is there a better way to handle this? May cause crash soon after call.
+        // TODO: Throw exception instead?
+@@ -506,7 +508,7 @@ bool MemoryManager::isMemoryOwner(MemoryType_t const mem_type )
+ 
+       isOwner = isMemoryOwner(alloc);
+ 
+-    } catch (umpire::util::Exception &e) {
++    } catch (LIP_Umpire_Exception &e) {
+       // Just catch the exception.  No way to handle this.
+       // leave isOwner = true
+       // TODO: Throw exception instead?
+@@ -578,7 +580,7 @@ void MemoryManager::syncSharedMemoryProcs(MemoryType_t const mem_type)
+           umpire::get_communicator_for_allocator( alloc, base_comm_);
+ 
+ 
+-    } catch (umpire::util::Exception &e) {
++    } catch (LIP_Umpire_Exception &e) {
+       // Just catch the exception.  No way to handle this.
+       // TODO: Throw exception instead?
+       // throw e;
+@@ -740,7 +742,7 @@ bool MemoryManager::initializeUmpireIDMemory(MemoryType_t mem_type)
+ 
+     status = initializeUmpireIDMemory(alloc);
+ 
+-  } catch (umpire::util::Exception &e) {
++  } catch (LIP_Umpire_Exception &e) {
+ 
+     status = false;
+     // TODO: Throw exception instead?
+@@ -785,7 +787,7 @@ bool MemoryManager::initializeUmpireIDMemory(umpire::Allocator &alloc)
+       }
+     }
+ 
+-  } catch (umpire::util::Exception &e) {
++  } catch (LIP_Umpire_Exception &e) {
+ 
+     status = false;
+     // TODO: Throw exception instead?

scripts/spack/packages/leos/patches/leos-8.4.1-umpire-2024.02-exceptions.patch

@@ -0,0 +1,41 @@
+diff -u -b -r a/cmake/TPL_Setup/SetupUmpire.cmake b/cmake/TPL_Setup/SetupUmpire.cmake
+--- a/cmake/TPL_Setup/SetupUmpire.cmake
++++ b/cmake/TPL_Setup/SetupUmpire.cmake
+@@ -16,9 +16,14 @@ else()
+   # Look for directory with umpire-config.cmake
+   set ( BASE_UMPIRE_DIR ${UMPIRE_DIR} )
+ 
++  message(STATUS "Passed in UMPIRE_DIR: ${UMPIRE_DIR}")
++  message(STATUS "Updated BASE_UMPIRE_DIR: ${BASE_UMPIRE_DIR}")
++
+   # Check for directory holding umpire-config.cmake
+   if ( IS_DIRECTORY ${BASE_UMPIRE_DIR}/lib/cmake/umpire)
+     set (UMPIRE_DIR ${BASE_UMPIRE_DIR}/lib/cmake/umpire)
++  elseif ( IS_DIRECTORY ${BASE_UMPIRE_DIR}/lib64/cmake/umpire)
++    set (UMPIRE_DIR ${BASE_UMPIRE_DIR}/lib64/cmake/umpire)
+   elseif(IS_DIRECTORY ${BASE_UMPIRE_DIR}/share/umpire/cmake)
+     set (UMPIRE_DIR ${BASE_UMPIRE_DIR}/share/umpire/cmake)
+   elseif(NOT EXISTS ${UMPIRE_DIR}/umpire-config.cmake)
+@@ -26,6 +31,9 @@ else()
+   endif()
+ endif()
+ 
++message(STATUS "Modified UMPIRE_DIR: ${UMPIRE_DIR}")
++
++
+ if ( DEFINED camp_DIR )
+ 
+   string(FIND ${camp_DIR} "lib/cmake/camp"   NEW_CAMP_CONFIG_LOC)
+@@ -65,7 +73,11 @@ else()
+ endif()
+ 
+ #set(UMPIRE_MIN_VERSION "5.0") 
+-find_package(UMPIRE ${UMPIRE_MIN_VERSION} REQUIRED)
++find_package(UMPIRE ${UMPIRE_MIN_VERSION} REQUIRED NO_DEFAULT_PATH
++                    PATHS ${UMPIRE_DIR}/share/umpire/cmake
++                         ${UMPIRE_DIR}/lib/cmake/umpire
++                         ${UMPIRE_DIR}/lib64/cmake/umpire
++                         ${UMPIRE_DIR})
+ 
+ if (UMPIRE_FOUND) 
+ 

scripts/spack/packages/leos/patches/leos-8.4.1-umpire-import.patch

@@ -23,6 +23,12 @@ class Spheral(CachedCMakePackage, CudaPackage, ROCmPackage):
     version('develop', branch='develop', submodules=True)
     version('1.0', tag='FSISPH-v1.0', submodules=True)
 
+    # -------------------------------------------------------------------------
+    # Is LEOS available in a standard place?
+    # -------------------------------------------------------------------------
+    from spack.pkg.spheral.leos import Leos
+    LEOSpresent = os.path.exists(Leos.fileLoc)
+
     # -------------------------------------------------------------------------
     # VARIANTS
     # -------------------------------------------------------------------------
@@ -35,6 +41,7 @@ class Spheral(CachedCMakePackage, CudaPackage, ROCmPackage):
     variant('opensubdiv', default=True, description='Enable use of opensubdiv to do refinement.')
     variant('network', default=True, description='Disable to build Spheral from a local buildcache.')
     variant('sundials', default=True, when="+mpi", description='Build Sundials package.')
+    variant('leos', default=LEOSpresent, when="+mpi", description='Build LEOS package.')
 
     # -------------------------------------------------------------------------
     # Depends
@@ -76,6 +83,8 @@ class Spheral(CachedCMakePackage, CudaPackage, ROCmPackage):
 
     depends_on('sundials@7.0.0 ~shared cxxstd=17', type='build', when='+sundials')
 
+    depends_on("leos@8.4.2", type="build", when="+leos")
+
     # Forward MPI Variants
     mpi_tpl_list = ["hdf5", "conduit", "axom", "adiak~shared"]
     for ctpl in mpi_tpl_list:
@@ -245,6 +254,10 @@ def initconfig_package_entries(self):
             entries.append(cmake_cache_path('sundials_DIR', spec['sundials'].prefix))
             entries.append(cmake_cache_option('ENABLE_SUNDIALS', True))
 
+        if spec.satisfies("+leos"):
+            entries.append(cmake_cache_path('leos_DIR', spec['leos'].prefix))
+            entries.append(cmake_cache_option('ENABLE_LEOS', True))
+
         return entries
 
     def cmake_args(self):

scripts/spack/packages/spheral/package.py

@@ -69,10 +69,14 @@ if (SPHERAL_ENABLE_SVPH)
   list(APPEND _packages SVPH)
 endif()
 
-if (ENABLE_SUNDIALS AND ENABLE_MPI)
+if (ENABLE_SUNDIALS)
   list(APPEND _packages Solvers)
 endif()
 
+if (ENABLE_LEOS)
+  list(APPEND _packages LEOS)
+endif()
+
 if(NOT ENABLE_CXXONLY)
   list(APPEND _packages
     SimulationControl

src/CMakeLists.txt

@@ -0,0 +1,17 @@
+include_directories(.)
+set(LEOS_inst
+  LEOS
+)
+
+set(LEOS_sources
+  LEOS_bundle.cc
+)
+
+instantiate(LEOS_inst LEOS_sources)
+
+set(LEOS_headers
+  LEOS.hh
+  LEOS_bundle.hh
+)
+
+spheral_add_obj_library(LEOS SPHERAL_OBJ_LIBS)