Sherman-Morrison/Makefile at dev · titeup/Sherman-Morrison · GitHub

1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
## 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 $@ $^