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Makefile
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# disable the built-in (implicit) rules to avoid trying to compile X.o from X.mod (Modula-2 program)
.SUFFIXES:
b = build
s = src
#NEW = new
#dirs = $(OBJDIR) $(MODDIR)
dirs = $b
#have added the "new/" directory and PS-files
vpath %.f90 $(s)
#vpath %.f90 $(NEW)
#vpath %.cpp $(SRCDIR)
FC = gfortran
CC = g++
opti = -O0
## optimization:
#opti = -Ofast -ftree-vectorize -ftree-loop-if-convert -ftree-loop-distribution -march=native -fopenmp -finline-functions
## warn all:
#-Wall
#Debug prerpcessor flag only in this makefile, makes the program print stuff with the print routine:
FFLAGS = $(opti) -pg -I$b -J$b -cpp -D'DEBUG'
CFLAGS = $(opti) -I$b -J$b -lstdc++
OBJ = $(addprefix $b/, \
scme_ps.o calc_derivs.o calc_higher_order.o \
data_types.o \
multipole_parameters.o polariz_parameters.o \
calcEnergy_mod.o calc_lower_order.o \
inducePoles.o \
molecProperties.o \
ps_pes.o ps_dms.o printer_mod.o sf_disp_tangtoe.o force_torqueCM.o \
localAxes_mod.o )
# max_parameters.o forceCM_mod.o torqueCM_mod.o tang_toennies.o rho.o dispersion_mod.o coreInt_mod.o ps.o parameters.o constants.o molforce.o mdutil.o atomicForces_mod.o \
#OBJC = $(addprefix $(OBJDIR)/, ps.o)
#HEADERS = $(addprefix $(OBJDIR)/, constants.h ps.h)
#/// Build
all:
make -j4 it
it:$b/libscme.a
# library
$b/libscme.a: $(OBJ) $(dirs)
ar rcs $@ $(OBJ) $b/*.mod
$b:
mkdir $@
$b/%.o: %.f90
$(FC) $(FFLAGS) -c -o $@ $<
#//// Clean
.PHONY: clean
clean:
rm -f $b/*
#/// Dependencies
$b/localAxes_mod.o:$b/printer_mod.o
# special dependencies:
$b/molecProperties.o \
$b/calc_derivs.o \
$b/calc_lower_order.o \
$b/calc_higher_order.o: \
$b/sf_disp_tangtoe.o \
# scme dep. on most
$b/scme_ps.o: \
$b/calc_derivs.o \
$b/data_types.o \
$b/polariz_parameters.o \
$b/molecProperties.o \
$b/calc_lower_order.o \
$b/calc_higher_order.o \
$b/inducePoles.o \
$b/calcEnergy_mod.o \
$b/multipole_parameters.o\
$b/ps_pes.o \
$b/ps_dms.o \
$b/printer_mod.o \
$b/sf_disp_tangtoe.o \
$b/force_torqueCM.o \
$b/localAxes_mod.o \
$s/debug.h\
$b/localAxes_mod.o \
$b/molecProperties.o \
$b/calc_derivs.o \
$b/calc_lower_order.o \
$b/calc_higher_order.o \
$b/printer_mod.o \
$b/force_torqueCM.o \
$b/sf_disp_tangtoe.o \
$b/ps_dms.o \
$b/ps_pes.o \
$b/force_torqueCM.o \
$b/inducePoles.o \
$b/calcEnergy_mod.o \
$b/polariz_parameters.o \
$b/multipole_parameters.o: \
$b/data_types.o \