From 68584d9c99101e75c14aad6f1466bac4f61fa22a Mon Sep 17 00:00:00 2001
From: Francois Coppens <francois.coppens@uvsq.fr>
Date: Fri, 21 May 2021 16:19:08 +0200
Subject: [PATCH] - Fixed bug in Makefile so everything compiles against MKL
 for all compilers. - Updates Makefile.verificarlo to enable linking against
 MKL

---
 Makefile             | 22 ++++++++++++++--------
 Makefile.verificarlo | 23 +++++++++++++++++------
 smvars.sh            |  2 +-
 3 files changed, 32 insertions(+), 15 deletions(-)

diff --git a/Makefile b/Makefile
index 29134de..d69bd40 100644
--- a/Makefile
+++ b/Makefile
@@ -21,16 +21,22 @@ else
     $(error No valid compiler environment set in $$ENV. \
 	First run: $$ source smvars.sh {intel | llvm | gnu})
 endif
-CXXFLAGS = $(OPT) $(ARCH) $(DEBUG) $(THRESHOLD) -fPIC
-ifeq ($(MKL),-DMKL)
-CXXFLAGS += $(MKL)
-LFLAGS = -mkl=sequential
-H5LFLAGS = -L${MKLROOT}/lib/intel64 -Wl,--no-as-needed -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lpthread -lm -ldl
-endif
-FFLAGS = $(CXXFLAGS)
 H5CXX = h5c++
-H5CXXFLAGS = $(CXXFLAGS)
 FLIBS = -lstdc++
+CXXFLAGS = $(OPT) $(ARCH) $(DEBUG) $(THRESHOLD) -fPIC
+
+## MKL linker flags
+ifeq ($(MKL),-DMKL)
+	CXXFLAGS += $(MKL)
+	H5LFLAGS = -L${MKLROOT}/lib/intel64 -Wl,--no-as-needed -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lpthread -lm -ldl
+	ifeq ($(ENV),INTEL)
+		LFLAGS = -mkl=sequential # implicit
+	else
+		LFLAGS = $(H5LFLAGS)
+	endif
+endif
+H5CXXFLAGS = $(CXXFLAGS)
+FFLAGS = $(CXXFLAGS)
 
 ## Includes and dependencies
 INCLUDE = -I $(INC_DIR)/
diff --git a/Makefile.verificarlo b/Makefile.verificarlo
index ec35224..09bd973 100644
--- a/Makefile.verificarlo
+++ b/Makefile.verificarlo
@@ -13,6 +13,17 @@ H5FLAGS = "-I/usr/include/hdf5/serial \
 		   -lpthread -lsz -lz -ldl -lm \
 		   -Wl,-rpath -Wl,/usr/lib/x86_64-linux-gnu/hdf5/serial"
 CXXFLAGS = -O0 -g $(H5FLAGS)
+## MKL linker flags
+ifeq ($(MKL),-DMKL)
+	CXXFLAGS += $(MKL)
+	H5LFLAGS = -L${MKLROOT}/lib/intel64 -Wl,--no-as-needed -lmkl_intel_lp64 -lmkl_sequential -lmkl_core -lpthread -lm -ldl
+	ifeq ($(ENV),INTEL)
+		LFLAGS = -mkl=sequential # implicit
+	else
+		LFLAGS = $(H5LFLAGS)
+	endif
+endif
+H5CXXFLAGS = $(CXXFLAGS)
 FFLAGS = $(CXXFLAGS)
 
 INCLUDE = -I $(INC_DIR)/
@@ -79,19 +90,19 @@ $(OBJ_DIR)/%.o: $(TST_DIR)/%.f90 | $(OBJ_DIR)
 
 #### LINKING
 $(BIN_DIR)/cMaponiA3_test_3x3_3: $(OBJ_DIR)/cMaponiA3_test_3x3_3.o $(DEPS_CXX) | $(BIN_DIR)
-	$(CXX) -o $@ $^
+	$(CXX) $(LFLAGS) -o $@ $^
 
 $(BIN_DIR)/test_h5: $(OBJ_DIR)/test_h5.o $(DEPS_CXX) | $(BIN_DIR)
-	$(CXX) -o $@ $^ $(H5FLAGS)
+	$(CXX) $(H5LFLAGS) -o $@ $^ $(H5FLAGS)
 
 $(BIN_DIR)/vfc_test_h5: $(OBJ_DIR)/vfc_test_h5.o $(DEPS_CXX) | $(BIN_DIR)
-	$(CXX) -o $@ $^ $(H5FLAGS)
+	$(CXX) $(H5LFLAGS) -o $@ $^ $(H5FLAGS)
 
 $(BIN_DIR)/fMaponiA3_test_3x3_3: $(DEPS_F) $(OBJ_DIR)/fMaponiA3_test_3x3_3.o  | $(BIN_DIR)
-	$(FC) $(FLIBS) -o $@ $^
+	$(FC) $(LFLAGS) $(FLIBS) -o $@ $^
 
 $(BIN_DIR)/fMaponiA3_test_4x4_2: $(DEPS_F) $(OBJ_DIR)/fMaponiA3_test_4x4_2.o  | $(BIN_DIR)
-	$(FC) $(FLIBS) -o $@ $^
+	$(FC) $(LFLAGS) $(FLIBS) -o $@ $^
 
 $(BIN_DIR)/QMCChem_dataset_test: $(DEPS_F) $(OBJ_DIR)/QMCChem_dataset_test.o  | $(BIN_DIR)
-	$(FC) $(FLIBS) -o $@ $^
+	$(FC) $(LFLAGS) $(FLIBS) -o $@ $^
diff --git a/smvars.sh b/smvars.sh
index 3159bd9..6e846ee 100644
--- a/smvars.sh
+++ b/smvars.sh
@@ -93,4 +93,4 @@ then
 		echo "* Threshold of '$2' will be used in next build."
 		export THRESHOLD="-DTHRESHOLD=$2"	
 	fi
-fi
\ No newline at end of file
+fi