From b59d1632802ea8375bdc2d9c03f7fa1821256b6b Mon Sep 17 00:00:00 2001
From: Hans Pabst <hans.pabst@intel.com>
Date: Fri, 15 Mar 2024 14:05:02 +0100
Subject: [PATCH] Legacy build_dbcsr cleanup (#3319)

---
 exts/build_dbcsr/Makefile              | 51 +++++++++++---------------
 src/f77_interface.F                    | 10 ++---
 tools/toolchain/scripts/arch_base.tmpl |  1 -
 3 files changed, 27 insertions(+), 35 deletions(-)

diff --git a/exts/build_dbcsr/Makefile b/exts/build_dbcsr/Makefile
index 0d68621059..3f96ab7e14 100644
--- a/exts/build_dbcsr/Makefile
+++ b/exts/build_dbcsr/Makefile
@@ -51,6 +51,7 @@ FYPPEXE      := $(TOOLSDIR)/build_utils/fypp/bin/fypp
 SRCDIR       := $(DBCSRHOME)/src
 TESTSDIR     := $(DBCSRHOME)/tests
 ARCHFILE     :=
+CXXSTD       := -std=c++14
 
 PYTHON       := /usr/bin/env python3
 
@@ -103,25 +104,29 @@ endif
 
 # Set ACCFLAGS ==============================================================
 
+# Adjust C++ standard level
+override ACCFLAGS := $(CXXSTD) $(filter-out -std=c++11,$(ACCFLAGS))
+
 # If compiling with nvcc
 ifeq (cuda,$(USE_ACCEL))
-  override ACCFLAGS += -D__CUDA
-  FCFLAGS += -D__CUDA
-  CXXFLAGS += -D__CUDA
+  override ACCFLAGS := -D__CUDA -DARCH_NUMBER=$(ARCH_NUMBER) $(filter-out -D__CUDA,$(ACCFLAGS))
+  CXXFLAGS := -D__CUDA $(filter-out -D__CUDA,$(CXXFLAGS))
+  FCFLAGS := -D__CUDA $(filter-out -D__CUDA,$(FCFLAGS))
   #if "-arch" has not yet been set in ACCFLAGS
   ifeq (,$(findstring -arch,$(ACCFLAGS)))
-    override ACCFLAGS += -arch sm_$(ARCH_NUMBER)
+    override ACCFLAGS := -arch sm_$(ARCH_NUMBER) $(ACCFLAGS)
   endif
   ifeq (,$(findstring -Xcompiler,$(ACCFLAGS)))
-    override ACCFLAGS += -Xcompiler="$(CXXFLAGS)"
+    override ACCFLAGS := $(ACCFLAGS) -Xcompiler="$(CXXFLAGS)"
   endif
 # If compiling with hipcc
 else ifeq (hip,$(USE_ACCEL))
-  override ACCFLAGS += -D__HIP
-  FCFLAGS += -D__HIP
+  override ACCFLAGS := -D__HIP -DARCH_NUMBER=$(ARCH_NUMBER) $(filter-out -D__HIP,$(ACCFLAGS))
+  CXXFLAGS := -D__HIP $(filter-out -D__HIP,$(CXXFLAGS))
+  FCFLAGS := -D__HIP $(filter-out -D__HIP,$(FCFLAGS))
 # OpenCL backend
 else ifeq (opencl,$(USE_ACCEL))
-  CFLAGS := $(if $(ACCFLAGS),$(ACCFLAGS),$(CFLAGS)) -D__OPENCL
+  CFLAGS := -D__OPENCL $(filter-out -D__OPENCL $(CXXSTD),$(if $(ACCFLAGS),$(ACCFLAGS),$(CFLAGS))) 
 endif
 
 # Set the configuration =====================================================
@@ -261,41 +266,29 @@ FYPPFLAGS ?= -n
 %.o: %.c
 	$(CC) -c $(CFLAGS) $<
 
-# Compile the CUDA/HIP files
 ifneq ($(ACC),)
+# if compiling CUDA/HIP backend
 ifneq (opencl,$(USE_ACCEL))
-%.o: %.cpp
+%.o: %.cpp parameters.h smm_acc_kernels.h
 	$(ACC) -c $(ACCFLAGS) -I'$(SRCDIR)' $<
-libsmm_acc.o: libsmm_acc.cpp parameters.h smm_acc_kernels.h
-	$(ACC) -c $(ACCFLAGS) -DARCH_NUMBER=$(ARCH_NUMBER) $<
-libsmm_acc_benchmark.o: libsmm_acc_benchmark.cpp parameters.h
-	$(ACC) -c $(ACCFLAGS) -I'$(SRCDIR)' $<
-libsmm_acc_init.o: libsmm_acc_init.cpp libsmm_acc_init.h parameters.h
-	$(ACC) -c $(ACCFLAGS) -I'$(SRCDIR)' $<
-endif
-endif
-
 # if compiling CUDA backend
-ifneq ($(ACC),)
 ifeq (cuda,$(USE_ACCEL))
-calculate_norms.o: calculate_norms.cpp
-	$(ACC) -x cu -c $(ACCFLAGS) -I'$(SRCDIR)' $<
-%.o: %.cpp
+%.o: %.cu parameters.h smm_acc_kernels.h
 	$(ACC) -c $(ACCFLAGS) -I'$(SRCDIR)' $<
+calculate_norms.o: calculate_norms.cpp
+	$(ACC) -c $(ACCFLAGS) -I'$(SRCDIR)' -x cu $<
 acc_cuda.o: acc_cuda.cpp acc_cuda.h
 	$(ACC) -c $(ACCFLAGS) -I'$(SRCDIR)' $<
-%.o: %.cu
-	$(ACC) -c $(ACCFLAGS) -I'$(SRCDIR)' $<
 # if compiling HIP backend
-else ifeq (hip,$(USE_ACCEL))
+else
 calculate_norms.o: calculate_norms.cpp
 	$(OFFLOAD_CC) -D__HIP -c $(OFFLOAD_FLAGS) -I'$(SRCDIR)' $<
-%.o: %.cpp
-	$(ACC) -c $(ACCFLAGS) -I'$(SRCDIR)' $<
 acc_hip.o: acc_hip.cpp acc_hip.h
 	$(ACC) -c $(ACCFLAGS) -I'$(SRCDIR)' $<
+endif
+
 # if compiling OpenCL backend
-else ifeq (opencl,$(USE_ACCEL))
+else
 OPENCL_KRNLGEN := $(LIBSMM_ACC_ABS_DIR)/../opencl/acc_opencl.sh
 OPENCL_KERNELS := $(wildcard $(LIBSMM_ACC_ABS_DIR)/../opencl/smm/kernels/*.cl)
 OPENCL_DEFAULT := $(wildcard $(LIBSMM_ACC_ABS_DIR)/../opencl/smm/tune_multiply.csv)
diff --git a/src/f77_interface.F b/src/f77_interface.F
index 392152d15d..af9d707305 100644
--- a/src/f77_interface.F
+++ b/src/f77_interface.F
@@ -331,20 +331,20 @@ CONTAINS
          END DO
          DEALLOCATE (f_envs)
 
+         ! Finalize libraries (Offload)
          CALL dbm_library_finalize()
-
          CALL grid_library_finalize()
-
-         ! Finalize the DBCSR configuration
-         CALL dbcsr_finalize_lib()
          CALL pw_gpu_finalize()
+         ! Finalize the DBCSR library
+         CALL dbcsr_finalize_lib()
+
          CALL mp_para_env_release(default_para_env)
          ierr = 0
          CALL cp_rm_default_logger()
 
          CALL cp_dlaf_finalize()
 
-         !   *** deallocate the bibliography ***
+         ! Deallocate the bibliography
          CALL remove_all_references()
          CALL rm_timer_env()
          CALL rm_mp_perf_env()
diff --git a/tools/toolchain/scripts/arch_base.tmpl b/tools/toolchain/scripts/arch_base.tmpl
index ddca384c15..bd250b252f 100644
--- a/tools/toolchain/scripts/arch_base.tmpl
+++ b/tools/toolchain/scripts/arch_base.tmpl
@@ -12,7 +12,6 @@ FCDEBFLAGS  = ${FCDEBFLAGS}
 CFLAGS      = ${CFLAGS}
 CXXFLAGS    = ${CXXFLAGS}
 FCFLAGS     = ${FCFLAGS}
-CXXFLAGS    = ${CXXFLAGS}
 #
 LDFLAGS     = ${LDFLAGS}
 LDFLAGS_C   = ${LDFLAGS_C}