mirror of
https://github.com/TREX-CoE/Sherman-Morrison.git
synced 2024-06-26 15:12:23 +02:00
142 lines
3.5 KiB
Makefile
142 lines
3.5 KiB
Makefile
## Compilers, compiler flags & external libs
|
|
ifeq ($(ENV),INTEL)
|
|
CXX = icpc
|
|
FC = ifort
|
|
ARCH = -xCORE-AVX2
|
|
OPT = -O3
|
|
DEBUG = -g -debug full
|
|
else ifeq ($(ENV),LLVM)
|
|
CXX = clang++
|
|
FC = flang
|
|
ARCH = -march=native
|
|
OPT = -O3
|
|
DEBUG = -g
|
|
else ifeq ($(ENV),GNU)
|
|
CXX = g++
|
|
FC = gfortran
|
|
# ARCH = -mavx
|
|
ARCH =
|
|
OPT = -O0
|
|
DEBUG = -g
|
|
else
|
|
$(error No valid compiler environment set in $$ENV. \
|
|
First run: $$ source smvars.sh {intel | llvm | gnu})
|
|
endif
|
|
HDF5_CXX = $(CXX)
|
|
H5CXX = h5c++
|
|
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)/
|
|
DEPS_CXX = $(OBJ_DIR)/SM_Maponi.o \
|
|
$(OBJ_DIR)/SM_Standard.o \
|
|
$(OBJ_DIR)/Woodbury.o \
|
|
$(OBJ_DIR)/SMWB.o \
|
|
$(OBJ_DIR)/Helpers.o
|
|
DEPS_F = $(DEPS_CXX) \
|
|
$(OBJ_DIR)/finterface_mod.o \
|
|
$(OBJ_DIR)/helpers_mod.o
|
|
|
|
## QMCkl includes and linking
|
|
QMCKL_INCLUDE = -I$(SMROOT)/qmckl/include
|
|
QMCKLLFLAGS = -L$(SMROOT)/qmckl/src/.libs -lqmckl
|
|
|
|
|
|
## Directory structure
|
|
SRC_DIR := src
|
|
TST_DIR := tests
|
|
INC_DIR := include
|
|
OBJ_DIR := build
|
|
BIN_DIR := bin
|
|
|
|
EXEC := $(BIN_DIR)/cMaponiA3_test_3x3_3 \
|
|
$(BIN_DIR)/test_h5 \
|
|
$(BIN_DIR)/fnu_test_h5 \
|
|
$(BIN_DIR)/fMaponiA3_test_3x3_3 \
|
|
$(BIN_DIR)/fMaponiA3_test_4x4_2 \
|
|
$(BIN_DIR)/QMCChem_dataset_test
|
|
#$(BIN_DIR)/qmckl_test_c \
|
|
|
|
## Build tagets
|
|
.PHONY: all clean distclean
|
|
|
|
all: $(EXEC)
|
|
|
|
clean:
|
|
@rm -vrf $(OBJ_DIR) *.dbg *.cmdx *.cmod *.ilm *.stb
|
|
|
|
distclean: clean
|
|
@rm -vrf $(BIN_DIR) \
|
|
Slater* Updates.dat
|
|
|
|
|
|
#### COMPILING
|
|
$(BIN_DIR) $(OBJ_DIR):
|
|
mkdir -p $@
|
|
|
|
### IMPLICIT BUILD RULES
|
|
## C++ objects
|
|
$(OBJ_DIR)/%.o: $(TST_DIR)/%.cpp $(INC_DIR)/* | $(OBJ_DIR)
|
|
$(CXX) $(CXXFLAGS) $(INCLUDE) -c -o $@ $<
|
|
|
|
$(OBJ_DIR)/%.o: $(SRC_DIR)/%.cpp $(INC_DIR)/* | $(OBJ_DIR)
|
|
$(CXX) $(CXXFLAGS) $(INCLUDE) -c -o $@ $<
|
|
|
|
## HDF5/C++ objects
|
|
$(OBJ_DIR)/%_h5.o: $(TST_DIR)/%_h5.cpp $(INC_DIR)/* | $(OBJ_DIR)
|
|
$(H5CXX) $(H5CXXFLAGS) $(INCLUDE) -c -o $@ $<
|
|
|
|
## HDF5/C++ objects
|
|
$(OBJ_DIR)/qmckl_test_c.o: $(TST_DIR)/qmckl_test_c.cpp $(INC_DIR)/* | $(OBJ_DIR)
|
|
$(H5CXX) $(H5CXXFLAGS) $(INCLUDE) $(QMCKL_INCLUDE) -c -o $@ $<
|
|
|
|
|
|
## Fortran modules
|
|
$(OBJ_DIR)/%_mod.o: $(SRC_DIR)/%_mod.f90 | $(OBJ_DIR)
|
|
ifeq ($(ENV),$(filter $(ENV),LLVM GNU))
|
|
$(FC) $(FFLAGS) -J $(OBJ_DIR)/ -c -o $@ $<
|
|
else
|
|
$(FC) $(FFLAGS) -module $(OBJ_DIR)/ -c -o $@ $<
|
|
endif
|
|
|
|
## Fortran objects
|
|
$(OBJ_DIR)/%.o: $(TST_DIR)/%.f90 | $(OBJ_DIR)
|
|
$(FC) $(FFLAGS) -I $(OBJ_DIR)/ -c -o $@ $<
|
|
|
|
|
|
#### LINKING
|
|
$(BIN_DIR)/cMaponiA3_test_3x3_3: $(OBJ_DIR)/cMaponiA3_test_3x3_3.o $(DEPS_CXX) | $(BIN_DIR)
|
|
$(CXX) $(LFLAGS) -o $@ $^
|
|
|
|
$(BIN_DIR)/test_h5: $(OBJ_DIR)/test_h5.o $(DEPS_CXX) | $(BIN_DIR)
|
|
$(H5CXX) $(H5LFLAGS) -o $@ $^
|
|
|
|
$(BIN_DIR)/fnu_test_h5: $(OBJ_DIR)/fnu_test_h5.o $(DEPS_CXX) | $(BIN_DIR)
|
|
$(H5CXX) $(H5LFLAGS) -o $@ $^
|
|
|
|
$(BIN_DIR)/qmckl_test_c: $(OBJ_DIR)/qmckl_test_c.o | $(BIN_DIR)
|
|
$(H5CXX) $(H5LFLAGS) $(QMCKLLFLAGS) -o $@ $^
|
|
|
|
$(BIN_DIR)/fMaponiA3_test_3x3_3: $(DEPS_F) $(OBJ_DIR)/fMaponiA3_test_3x3_3.o | $(BIN_DIR)
|
|
$(FC) $(LFLAGS) $(FLIBS) -o $@ $^
|
|
|
|
$(BIN_DIR)/fMaponiA3_test_4x4_2: $(DEPS_F) $(OBJ_DIR)/fMaponiA3_test_4x4_2.o | $(BIN_DIR)
|
|
$(FC) $(LFLAGS) $(FLIBS) -o $@ $^
|
|
|
|
$(BIN_DIR)/QMCChem_dataset_test: $(DEPS_F) $(OBJ_DIR)/QMCChem_dataset_test.o | $(BIN_DIR)
|
|
$(FC) $(LFLAGS) $(FLIBS) -o $@ $^
|