Add reusable SpectraREML batch AI-REML engine

2026-08-09 14:13:38 +08:00
parent 777eeb288c
commit da971a2ca7
22 changed files with 4736 additions and 0 deletions
--- a/cmake/FindREML_OpenBLAS.cmake
+++ b/cmake/FindREML_OpenBLAS.cmake
@@ -0,0 +1,135 @@
+# Locate an LP64 OpenBLAS implementation together with the CBLAS and LAPACKE
+# C interfaces.  LAPACKE may be provided by libopenblas itself or by a separate
+# liblapacke library.
+#
+# Result:
+#   REML_OpenBLAS_FOUND
+#   REML::OpenBLASLAPACKE
+#
+# Optional hints/overrides:
+#   OpenBLAS_ROOT
+#   LAPACKE_ROOT
+#   REML_OPENBLAS_LIBRARY
+#   REML_LAPACKE_LIBRARY
+#   REML_CBLAS_INCLUDE_DIR
+#   REML_LAPACKE_INCLUDE_DIR
+
+include(CheckCXXSourceCompiles)
+include(CMakePushCheckState)
+include(FindPackageHandleStandardArgs)
+
+set(_reml_openblas_hints)
+foreach(_root IN ITEMS "${OpenBLAS_ROOT}" "$ENV{OpenBLAS_ROOT}" "$ENV{OPENBLAS_ROOT}" "$ENV{CONDA_PREFIX}")
+  if(_root)
+    list(APPEND _reml_openblas_hints "${_root}")
+  endif()
+endforeach()
+
+set(_reml_lapacke_hints ${_reml_openblas_hints})
+foreach(_root IN ITEMS "${LAPACKE_ROOT}" "$ENV{LAPACKE_ROOT}")
+  if(_root)
+    list(PREPEND _reml_lapacke_hints "${_root}")
+  endif()
+endforeach()
+
+# Prefer package-provided imported targets because they carry static-library
+# dependencies (Fortran runtime, pthreads, and libm) correctly.
+find_package(OpenBLAS CONFIG QUIET)
+if(TARGET OpenBLAS::OpenBLAS)
+  set(_reml_openblas_link OpenBLAS::OpenBLAS)
+elseif(TARGET OpenBLAS)
+  set(_reml_openblas_link OpenBLAS)
+endif()
+
+if(NOT _reml_openblas_link)
+  find_library(REML_OPENBLAS_LIBRARY
+    NAMES openblas libopenblas
+    HINTS ${_reml_openblas_hints}
+    PATH_SUFFIXES lib lib64 Library/lib
+  )
+  if(REML_OPENBLAS_LIBRARY)
+    set(_reml_openblas_link "${REML_OPENBLAS_LIBRARY}")
+  endif()
+endif()
+
+find_path(REML_CBLAS_INCLUDE_DIR
+  NAMES cblas.h
+  HINTS ${_reml_openblas_hints}
+  PATH_SUFFIXES include include/openblas Library/include Library/include/openblas
+)
+find_path(REML_LAPACKE_INCLUDE_DIR
+  NAMES lapacke.h
+  HINTS ${_reml_lapacke_hints}
+  PATH_SUFFIXES include include/openblas include/lapacke Library/include Library/include/openblas
+)
+
+find_package(LAPACKE CONFIG QUIET)
+if(TARGET LAPACKE::LAPACKE)
+  set(_reml_lapacke_link LAPACKE::LAPACKE)
+elseif(TARGET LAPACKE)
+  set(_reml_lapacke_link LAPACKE)
+else()
+  find_library(REML_LAPACKE_LIBRARY
+    NAMES lapacke liblapacke
+    HINTS ${_reml_lapacke_hints}
+    PATH_SUFFIXES lib lib64 Library/lib
+  )
+  if(REML_LAPACKE_LIBRARY)
+    set(_reml_lapacke_link "${REML_LAPACKE_LIBRARY}")
+  endif()
+endif()
+
+if(_reml_lapacke_link)
+  # Keep the static-link order dependency first, provider second:
+  # liblapacke calls LAPACK symbols supplied by libopenblas.
+  set(_reml_link_items ${_reml_lapacke_link} ${_reml_openblas_link})
+else()
+  set(_reml_link_items ${_reml_openblas_link})
+endif()
+
+unset(REML_OPENBLAS_LINK_OK CACHE)
+if(REML_CBLAS_INCLUDE_DIR AND REML_LAPACKE_INCLUDE_DIR AND _reml_openblas_link)
+  cmake_push_check_state(RESET)
+  set(CMAKE_REQUIRED_INCLUDES "${REML_CBLAS_INCLUDE_DIR};${REML_LAPACKE_INCLUDE_DIR}")
+  set(CMAKE_REQUIRED_LIBRARIES ${_reml_link_items})
+  check_cxx_source_compiles([[
+    #include <cblas.h>
+    #include <lapacke.h>
+    int main() {
+      double a[1] = {1.0};
+      double b[1] = {1.0};
+      double c[1] = {0.0};
+      cblas_dgemm(CblasRowMajor, CblasNoTrans, CblasNoTrans,
+                  1, 1, 1, 1.0, a, 1, b, 1, 0.0, c, 1);
+      return LAPACKE_dpotrf(LAPACK_ROW_MAJOR, 'L', 1, a, 1);
+    }
+  ]] REML_OPENBLAS_LINK_OK)
+  cmake_pop_check_state()
+else()
+  set(REML_OPENBLAS_LINK_OK FALSE)
+endif()
+
+find_package_handle_standard_args(REML_OpenBLAS
+  REQUIRED_VARS
+    REML_CBLAS_INCLUDE_DIR
+    REML_LAPACKE_INCLUDE_DIR
+    _reml_openblas_link
+    REML_OPENBLAS_LINK_OK
+  FAIL_MESSAGE
+    "OpenBLAS with LP64 CBLAS and LAPACKE is required. Set OpenBLAS_ROOT/LAPACKE_ROOT, or the REML_* cache variables listed in cmake/FindREML_OpenBLAS.cmake."
+)
+
+if(REML_OpenBLAS_FOUND AND NOT TARGET REML::OpenBLASLAPACKE)
+  add_library(REML::OpenBLASLAPACKE INTERFACE IMPORTED)
+  set_property(TARGET REML::OpenBLASLAPACKE PROPERTY
+    INTERFACE_INCLUDE_DIRECTORIES "${REML_CBLAS_INCLUDE_DIR};${REML_LAPACKE_INCLUDE_DIR}")
+  set_property(TARGET REML::OpenBLASLAPACKE PROPERTY
+    INTERFACE_LINK_LIBRARIES "${_reml_link_items}")
+endif()
+
+mark_as_advanced(
+  REML_CBLAS_INCLUDE_DIR
+  REML_LAPACKE_INCLUDE_DIR
+  REML_OPENBLAS_LIBRARY
+  REML_LAPACKE_LIBRARY
+)