| 19 |
|
# Path prefix for installation links |
| 20 |
|
PREFIX=/usr/local |
| 21 |
|
|
| 22 |
< |
# Location of the oopse home |
| 22 |
> |
# Location of the shapes home |
| 23 |
|
SHAPES_HOME=/usr/local/shapes |
| 24 |
|
VDW_PARAM_DIR=/usr/local/shapes/share/vdwFiles |
| 25 |
|
|
| 26 |
|
# C compiler |
| 27 |
< |
CC=icc8 |
| 27 |
> |
CC=icc |
| 28 |
|
|
| 29 |
|
# C++ compiler |
| 30 |
< |
CXX=icpc8 |
| 30 |
> |
CXX=icpc |
| 31 |
|
|
| 32 |
|
# ar |
| 33 |
|
AR=ar |
| 47 |
|
INSTALL_DATA=@INSTALL_DATA@ |
| 48 |
|
MKINSTALLDIRS=@MKINSTALLDIRS@ |
| 49 |
|
|
| 50 |
+ |
# fftw library and include files |
| 51 |
+ |
FFTWINC = -I/usr/local/include |
| 52 |
+ |
FFTWLIB = -L/usr/local/lib/ -lfftw3 |
| 53 |
+ |
|
| 54 |
|
# CPP flags |
| 55 |
|
CPPFLAGS= |
| 56 |
|
|
| 57 |
|
# C flags |
| 58 |
< |
CFLAGS_C= |
| 58 |
> |
CFLAGS_C= -O3 |
| 59 |
|
|
| 60 |
|
# C++ flags |
| 61 |
< |
CXXFLAGS_C= |
| 61 |
> |
CXXFLAGS_C= -O3 |
| 62 |
|
|
| 63 |
|
# LDFLAGS |
| 64 |
|
LDFLAGS= |
| 69 |
|
|
| 70 |
|
# include paths starting with "." are all relative to the SUBDIRS!!! |
| 71 |
|
|
| 72 |
< |
INCLUDES= -I.. |
| 72 |
> |
INCLUDES= -I.. $(FFTWINC) |
| 73 |
|
|
| 74 |
< |
CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) |
| 75 |
< |
CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARE) |
| 76 |
< |
DEPFLAGS=$(CFLAGS_C) -I. |
| 74 |
> |
CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) |
| 75 |
> |
CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARE) |
| 76 |
> |
DEPFLAGS=$(CFLAGS_C) $(INCLUDES) -I. |
| 77 |
|
|
| 78 |
|
SRC_DIR := .. |
| 79 |
|
|
| 80 |
< |
FORCER=forcer$(EXE) |
| 80 |
> |
SHAPER=shaper$(EXE) |
| 81 |
> |
VISUALIZER=visualizer$(EXE) |
| 82 |
|
LDADD=-lz |
| 83 |
|
|
| 84 |
|
# Then do the compile rules: |
| 91 |
|
|
| 92 |
|
# Then list what we have to compile |
| 93 |
|
# |
| 94 |
< |
C_FILES = \ |
| 95 |
< |
$(DIR)/forcerCmd.c \ |
| 96 |
< |
$(DIR)/MatVec3.c |
| 94 |
> |
SHAPER_C_FILES = \ |
| 95 |
> |
$(DIR)/shaperCmd.c \ |
| 96 |
> |
$(DIR)/MatVec3.c \ |
| 97 |
> |
$(DIR)/cospmls.c \ |
| 98 |
> |
$(DIR)/makeweights.c \ |
| 99 |
> |
$(DIR)/naive_synthesis.c \ |
| 100 |
> |
$(DIR)/pmls.c \ |
| 101 |
> |
$(DIR)/primitive.c \ |
| 102 |
> |
$(DIR)/seminaive.c \ |
| 103 |
> |
$(DIR)/FST_semi_memo.c |
| 104 |
|
|
| 105 |
< |
CXX_FILES = \ |
| 106 |
< |
$(DIR)/forcer.cpp \ |
| 105 |
> |
VISUALIZER_C_FILES = \ |
| 106 |
> |
$(DIR)/visualizerCmd.c |
| 107 |
> |
|
| 108 |
> |
SHAPER_CXX_FILES = \ |
| 109 |
> |
$(DIR)/shaper.cpp \ |
| 110 |
|
$(DIR)/PDBReader.cpp \ |
| 111 |
|
$(DIR)/RigidBody.cpp \ |
| 112 |
< |
$(DIR)/VDWAtom.cpp |
| 112 |
> |
$(DIR)/VDWAtom.cpp \ |
| 113 |
> |
$(DIR)/GridBuilder.cpp \ |
| 114 |
> |
$(DIR)/SphereHarm.cpp |
| 115 |
|
|
| 116 |
+ |
VISUALIZER_CXX_FILES = \ |
| 117 |
+ |
$(DIR)/SHFunc.cpp \ |
| 118 |
+ |
$(DIR)/SHAPE.cpp \ |
| 119 |
+ |
$(DIR)/visualizer.cpp |
| 120 |
+ |
|
| 121 |
|
VDW_FILES= \ |
| 122 |
|
amber99.vdw \ |
| 123 |
|
charmm27.vdw \ |
| 126 |
|
oplsaal.vdw |
| 127 |
|
|
| 128 |
|
DIR:=. |
| 129 |
< |
C_SRCS := $(C_FILES) |
| 130 |
< |
CXX_SRCS := $(CXX_FILES) |
| 131 |
< |
SRCS := $(C_SRCS) $(CXX_SRCS) |
| 129 |
> |
SHAPER_C_SRCS := $(SHAPER_C_FILES) |
| 130 |
> |
SHAPER_CXX_SRCS := $(SHAPER_CXX_FILES) |
| 131 |
> |
SHAPER_SRCS := $(SHAPER_C_SRCS) $(SHAPER_CXX_SRCS) |
| 132 |
> |
VISUALIZER_C_SRCS := $(VISUALIZER_C_FILES) |
| 133 |
> |
VISUALIZER_CXX_SRCS := $(VISUALIZER_CXX_FILES) |
| 134 |
> |
VISUALIZER_SRCS := $(VISUALIZER_C_SRCS) $(VISUALIZER_CXX_SRCS) |
| 135 |
|
|
| 136 |
|
DIR:=obj |
| 137 |
< |
C_OBJS := $(C_FILES:.c=.o) |
| 138 |
< |
CXX_OBJS := $(CXX_FILES:.cpp=.o) |
| 139 |
< |
OBJS := $(C_OBJS) $(CXX_OBJS) |
| 137 |
> |
SHAPER_C_OBJS := $(SHAPER_C_FILES:.c=.o) |
| 138 |
> |
SHAPER_CXX_OBJS := $(SHAPER_CXX_FILES:.cpp=.o) |
| 139 |
> |
SHAPER_OBJS := $(SHAPER_C_OBJS) $(SHAPER_CXX_OBJS) |
| 140 |
> |
VISUALIZER_C_OBJS := $(VISUALIZER_C_FILES:.c=.o) |
| 141 |
> |
VISUALIZER_CXX_OBJS := $(VISUALIZER_CXX_FILES:.cpp=.o) |
| 142 |
> |
VISUALIZER_OBJS := $(VISUALIZER_C_OBJS) $(VISUALIZER_CXX_OBJS) |
| 143 |
|
|
| 144 |
|
SUBDIRS = obj |
| 145 |
|
|
| 146 |
|
# Possible make targets: |
| 147 |
|
|
| 148 |
< |
all: forcer |
| 148 |
> |
all: shaper visualizer |
| 149 |
|
|
| 150 |
< |
forcer$(EXE) : $(OBJS) |
| 151 |
< |
$(CXX) $(CFLAGS) $(OBJS) -o $@ $(LDFLAGS) $(LDADD) |
| 150 |
> |
shaper$(EXE) : $(SHAPER_OBJS) |
| 151 |
> |
$(CXX) $(CFLAGS) $(SHAPER_OBJS) -o $@ $(LDFLAGS) $(LDADD) $(FFTWLIB) |
| 152 |
|
|
| 153 |
< |
install : $(FORCER) |
| 153 |
> |
visualizer$(EXE) : $(VISUALIZER_OBJS) |
| 154 |
> |
$(CXX) $(CFLAGS) $(VISUALIZER_OBJS) -o $@ $(LDFLAGS) $(LDADD) |
| 155 |
> |
|
| 156 |
> |
install : $(SHAPER) $(VISUALIZER) |
| 157 |
|
$(MKINSTALLDIRS) $(SHAPES_HOME)/bin |
| 158 |
< |
$(INSTALL_PROGRAM) -s $(FORCER) $(SHAPES_HOME)/bin/$(FORCER) |
| 158 |
> |
$(INSTALL_PROGRAM) -s $(SHAPER) $(SHAPES_HOME)/bin/$(SHAPER) |
| 159 |
> |
$(INSTALL_PROGRAM) -s $(VISUALIZER) $(SHAPES_HOME)/bin/$(VISUALIZER) |
| 160 |
|
$(MKINSTALLDIRS) $(VDW_PARAM_DIR) |
| 161 |
|
for i in $(VDW_FILES); do \ |
| 162 |
|
echo "Installing $$i in $(VDW_PARAM_DIR)\n"; \ |
| 170 |
|
for i in $(SUBDIRS); do \ |
| 171 |
|
(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
| 172 |
|
done |
| 173 |
< |
$(RM) forcer *.o *.mod *~ Make.temp |
| 173 |
> |
$(RM) shaper visualizer *.o *.mod *~ Make.temp |
| 174 |
|
|
| 175 |
|
distclean : dummy |
| 176 |
|
for i in $(SUBDIRS); do \ |
| 177 |
|
(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
| 178 |
|
done |
| 179 |
< |
$(RM) forcer *.o *.mod *~ Make.temp |
| 179 |
> |
$(RM) shaper visualizer *.o *.mod *~ Make.temp |
| 180 |
|
|
| 181 |
|
depend : Make.dep |
| 182 |
|
|
| 183 |
|
Make.dep : |
| 184 |
|
echo "Only C dependencies are made automagically!" |
| 185 |
|
echo "# DO NOT DELETE THIS LINE - used by make depend" > Make.dep |
| 186 |
< |
$(CC) $(DEPFLAGS) -MM $(C_SRCS) \ |
| 186 |
> |
$(CC) $(DEPFLAGS) -MM $(SHAPER_C_SRCS) $(VISUALIZER_C_SRCS) \ |
| 187 |
|
| sed 's/\.o:/\$$(O)\ :/g' > Make.temp |
| 188 |
< |
$(CXX) $(DEPFLAGS) -MM $(CXX_SRCS) \ |
| 188 |
> |
$(CXX) $(DEPFLAGS) -MM $(SHAPER_CXX_SRCS) $(VISUALIZER_CXX_SRCS) \ |
| 189 |
|
| sed 's/\.o:/\$$(O)\ :/g' >> Make.temp |
| 190 |
|
cat Make.temp | sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep |
| 191 |
|
$(RM) Make.temp |
