Sherman-Morrison/Makefile
Francois Coppens b863d40c05 - Setting break-down threshold trough smvars.sh
- Fixed SM3 to escape infinite update-loop
2021-04-15 18:13:26 +02:00

110 lines
2.6 KiB
Makefile

## Compilers, compiler flags & external libs
ifeq ($(ENV),INTEL)
CXX = icpc
FC = ifort
ARCH = -xCORE-AVX2
OPT = -O0
DEBUG = -debug full
else ifeq ($(ENV),LLVM)
CXX = clang++
FC = flang
ARCH =
OPT = -O0
DEBUG = -g
else ifeq ($(ENV),GNU)
CXX = g++
FC = gfortran
ARCH = -mavx
OPT = -O0
DEBUG = -g
else
$(error No valid compiler environment set in $$ENV. \
First run: $$ source smvars.sh {intel | llvm | gnu})
endif
CXXFLAGS = $(OPT) $(ARCH) $(DEBUG) -fPIC $(THRESHOLD)
FFLAGS = $(CXXFLAGS)
H5CXX = h5c++
H5CXXFLAGS = $(CXXFLAGS)
FLIBS = -lstdc++
## Includes and dependencies
INCLUDE = -I $(INC_DIR)/
DEPS_CXX = $(OBJ_DIR)/SM_MaponiA3.o \
$(OBJ_DIR)/SM_MaponiA3S.o \
$(OBJ_DIR)/SM_Standard.o \
$(OBJ_DIR)/SM_Helpers.o
DEPS_F = $(DEPS_CXX) \
$(OBJ_DIR)/SM_MaponiA3_mod.o \
$(OBJ_DIR)/Helpers_mod.o
## 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)/fMaponiA3_test_3x3_3 \
$(BIN_DIR)/fMaponiA3_test_4x4_2 \
$(BIN_DIR)/QMCChem_dataset_test
## 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 $@ $<
## 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) -o $@ $^
$(BIN_DIR)/test_h5: $(OBJ_DIR)/test_h5.o $(DEPS_CXX) | $(BIN_DIR)
$(H5CXX) -o $@ $^
$(BIN_DIR)/fMaponiA3_test_3x3_3: $(DEPS_F) $(OBJ_DIR)/fMaponiA3_test_3x3_3.o | $(BIN_DIR)
$(FC) $(FLIBS) -o $@ $^
$(BIN_DIR)/fMaponiA3_test_4x4_2: $(DEPS_F) $(OBJ_DIR)/fMaponiA3_test_4x4_2.o | $(BIN_DIR)
$(FC) $(FLIBS) -o $@ $^
$(BIN_DIR)/QMCChem_dataset_test: $(DEPS_F) $(OBJ_DIR)/QMCChem_dataset_test.o | $(BIN_DIR)
$(FC) $(FLIBS) -o $@ $^