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
|
.SUFFIXES : .o .cpp
# compiler and flags
CC = g++ -Wno-unused-result
LINK = $(CC) -static
CFLAGS = -O3 $(DEBUG) $(UFLAG)
OFLAGS = -O3 $(DEBUG)
INC = $(LPKINC) $(TCINC) $(SPGINC) $(FFTINC)
LIB = $(LPKLIB) $(TCLIB) $(SPGLIB) $(FFTLIB)
# cLapack library needed
LPKINC = -I/opt/clapack/3.2.1/include
LPKLIB = -L/opt/clapack/3.2.1/lib -lclapack -lblas -lf2c -lm
# Tricubic library needed
TCINC = -I/opt/tricubic/1.0/include
TCLIB = -L/opt/tricubic/1.0/lib -ltricubic
# spglib, used to get the irreducible q-points
# if SFLAG is not set, spglib won't be used.
SFLAG = -DUseSPG
SPGINC =
SPGLIB = -lsymspg
# FFTW 3， used to deduce the force constants in real space
# if FFLAG is not set, fftw won't be used.
FFLAG = -DFFTW3
FFTINC = -I/opt/fftw/3.3.7/include
FFTLIB = -L/opt/fftw/3.3.7/lib -lfftw3
# Debug flags
# DEBUG = -g -DDEBUG
UFLAG = $(SFLAG) $(FFLAG)
#====================================================================
ROOT = phana
# executable name
EXE = $(ROOT)
#====================================================================
# source and rules
SRC = $(wildcard *.cpp)
OBJ = $(SRC:.cpp=.o)
#====================================================================
all: ${EXE}
${EXE}: $(OBJ)
$(LINK) $(OFLAGS) $(OBJ) $(LIB) -o $@
clean:
rm -f *.o *~ *.mod ${EXE}
tar:
rm -f ${ROOT}.tar.gz; tar -czvf ${ROOT}.tar.gz *.cpp *.h Makefile README
ver:
@echo "#define VERSION `git log|grep '^commit'|wc -l`" > version.h
#====================================================================
.f.o:
$(FC) $(FFLAGS) $(FREE) $(MPI) ${INC} -c $<
.f90.o:
$(FC) $(FFLAGS) $(FREE) $(MPI) ${INC} -c $<
.c.o:
$(CC) $(CFLAGS) -c $<
.cpp.o:
$(CC) $(CFLAGS) $(INC) -c $<
|
