19 |
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# Path prefix for installation links |
20 |
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PREFIX=/usr/local |
21 |
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|
22 |
< |
# Location of the oopse home |
22 |
> |
# Location of the shapes home |
23 |
|
SHAPES_HOME=/usr/local/shapes |
24 |
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VDW_PARAM_DIR=/usr/local/shapes/share/vdwFiles |
25 |
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|
26 |
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# C compiler |
27 |
< |
CC=icc8 |
27 |
> |
CC=icc |
28 |
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|
29 |
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# C++ compiler |
30 |
< |
CXX=icpc8 |
30 |
> |
CXX=icpc |
31 |
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|
32 |
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# ar |
33 |
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AR=ar |
47 |
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INSTALL_DATA=@INSTALL_DATA@ |
48 |
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MKINSTALLDIRS=@MKINSTALLDIRS@ |
49 |
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|
50 |
+ |
# fftw library and include files |
51 |
+ |
FFTWINC = -I/usr/local/include |
52 |
+ |
FFTWLIB = -Wl,-R/usr/local/lib -L/usr/local/lib/ -lfftw3 |
53 |
+ |
|
54 |
+ |
# cgicc library and include files |
55 |
+ |
CGICCINC = -I/usr/local/include |
56 |
+ |
CGICCLIB = -Wl,-R/usr/local/lib -L/usr/local/lib/ -lcgicc |
57 |
+ |
|
58 |
|
# CPP flags |
59 |
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CPPFLAGS= |
60 |
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|
61 |
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# C flags |
62 |
< |
CFLAGS_C= |
62 |
> |
CFLAGS_C= -O3 |
63 |
|
|
64 |
|
# C++ flags |
65 |
< |
CXXFLAGS_C= |
65 |
> |
CXXFLAGS_C= -O3 |
66 |
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|
67 |
|
# LDFLAGS |
68 |
|
LDFLAGS= |
73 |
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|
74 |
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# include paths starting with "." are all relative to the SUBDIRS!!! |
75 |
|
|
76 |
< |
INCLUDES= -I.. |
76 |
> |
INCLUDES= -I.. $(FFTWINC) |
77 |
|
|
78 |
< |
CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) |
79 |
< |
CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARE) |
80 |
< |
DEPFLAGS=$(CFLAGS_C) -I. |
78 |
> |
CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) |
79 |
> |
CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARE) |
80 |
> |
DEPFLAGS=$(CFLAGS_C) $(INCLUDES) -I. |
81 |
|
|
82 |
|
SRC_DIR := .. |
83 |
|
|
84 |
< |
FORCER=forcer$(EXE) |
85 |
< |
LDADD=-lz |
84 |
> |
SHAPER=shaper$(EXE) |
85 |
> |
VISUALIZER=visualizer$(EXE) |
86 |
> |
LDADD= |
87 |
|
|
88 |
|
# Then do the compile rules: |
89 |
|
|
95 |
|
|
96 |
|
# Then list what we have to compile |
97 |
|
# |
98 |
< |
C_FILES = \ |
99 |
< |
$(DIR)/forcerCmd.c \ |
100 |
< |
$(DIR)/MatVec3.c |
98 |
> |
SHAPER_C_FILES = \ |
99 |
> |
$(DIR)/shaperCmd.c \ |
100 |
> |
$(DIR)/MatVec3.c \ |
101 |
> |
$(DIR)/cospmls.c \ |
102 |
> |
$(DIR)/makeweights.c \ |
103 |
> |
$(DIR)/naive_synthesis.c \ |
104 |
> |
$(DIR)/pmls.c \ |
105 |
> |
$(DIR)/primitive.c \ |
106 |
> |
$(DIR)/seminaive.c \ |
107 |
> |
$(DIR)/FST_semi_memo.c |
108 |
|
|
109 |
< |
CXX_FILES = \ |
110 |
< |
$(DIR)/forcer.cpp \ |
109 |
> |
SHAPERCGI_C_FILES = \ |
110 |
> |
$(DIR)/MatVec3.c \ |
111 |
> |
$(DIR)/cospmls.c \ |
112 |
> |
$(DIR)/makeweights.c \ |
113 |
> |
$(DIR)/naive_synthesis.c \ |
114 |
> |
$(DIR)/pmls.c \ |
115 |
> |
$(DIR)/primitive.c \ |
116 |
> |
$(DIR)/seminaive.c \ |
117 |
> |
$(DIR)/FST_semi_memo.c |
118 |
> |
|
119 |
> |
VISUALIZER_C_FILES = \ |
120 |
> |
$(DIR)/visualizerCmd.c |
121 |
> |
|
122 |
> |
SHAPER_CXX_FILES = \ |
123 |
> |
$(DIR)/shaper.cpp \ |
124 |
|
$(DIR)/PDBReader.cpp \ |
125 |
|
$(DIR)/RigidBody.cpp \ |
126 |
< |
$(DIR)/VDWAtom.cpp |
126 |
> |
$(DIR)/VDWAtom.cpp \ |
127 |
> |
$(DIR)/GridBuilder.cpp \ |
128 |
> |
$(DIR)/SphereHarm.cpp |
129 |
|
|
130 |
+ |
SHAPERCGI_CXX_FILES = \ |
131 |
+ |
$(DIR)/shaperCGI.cpp \ |
132 |
+ |
$(DIR)/PDBReader.cpp \ |
133 |
+ |
$(DIR)/RigidBody.cpp \ |
134 |
+ |
$(DIR)/VDWAtom.cpp \ |
135 |
+ |
$(DIR)/GridBuilder.cpp \ |
136 |
+ |
$(DIR)/SphereHarm.cpp |
137 |
+ |
|
138 |
+ |
VISUALIZER_CXX_FILES = \ |
139 |
+ |
$(DIR)/SHFunc.cpp \ |
140 |
+ |
$(DIR)/SHAPE.cpp \ |
141 |
+ |
$(DIR)/visualizer.cpp |
142 |
+ |
|
143 |
|
VDW_FILES= \ |
144 |
|
amber99.vdw \ |
145 |
|
charmm27.vdw \ |
148 |
|
oplsaal.vdw |
149 |
|
|
150 |
|
DIR:=. |
151 |
< |
C_SRCS := $(C_FILES) |
152 |
< |
CXX_SRCS := $(CXX_FILES) |
153 |
< |
SRCS := $(C_SRCS) $(CXX_SRCS) |
151 |
> |
SHAPER_C_SRCS := $(SHAPER_C_FILES) |
152 |
> |
SHAPER_CXX_SRCS := $(SHAPER_CXX_FILES) |
153 |
> |
SHAPER_SRCS := $(SHAPER_C_SRCS) $(SHAPER_CXX_SRCS) |
154 |
> |
SHAPERCGI_C_SRCS := $(SHAPERCGI_C_FILES) |
155 |
> |
SHAPERCGI_CXX_SRCS := $(SHAPERCGI_CXX_FILES) |
156 |
> |
SHAPERCGI_SRCS := $(SHAPERCGI_C_SRCS) $(SHAPERCGI_CXX_SRCS) |
157 |
> |
VISUALIZER_C_SRCS := $(VISUALIZER_C_FILES) |
158 |
> |
VISUALIZER_CXX_SRCS := $(VISUALIZER_CXX_FILES) |
159 |
> |
VISUALIZER_SRCS := $(VISUALIZER_C_SRCS) $(VISUALIZER_CXX_SRCS) |
160 |
|
|
161 |
|
DIR:=obj |
162 |
< |
C_OBJS := $(C_FILES:.c=.o) |
163 |
< |
CXX_OBJS := $(CXX_FILES:.cpp=.o) |
164 |
< |
OBJS := $(C_OBJS) $(CXX_OBJS) |
162 |
> |
SHAPER_C_OBJS := $(SHAPER_C_FILES:.c=.o) |
163 |
> |
SHAPER_CXX_OBJS := $(SHAPER_CXX_FILES:.cpp=.o) |
164 |
> |
SHAPER_OBJS := $(SHAPER_C_OBJS) $(SHAPER_CXX_OBJS) |
165 |
> |
SHAPERCGI_C_OBJS := $(SHAPERCGI_C_FILES:.c=.o) |
166 |
> |
SHAPERCGI_CXX_OBJS := $(SHAPERCGI_CXX_FILES:.cpp=.o) |
167 |
> |
SHAPERCGI_OBJS := $(SHAPERCGI_C_OBJS) $(SHAPERCGI_CXX_OBJS) |
168 |
> |
VISUALIZER_C_OBJS := $(VISUALIZER_C_FILES:.c=.o) |
169 |
> |
VISUALIZER_CXX_OBJS := $(VISUALIZER_CXX_FILES:.cpp=.o) |
170 |
> |
VISUALIZER_OBJS := $(VISUALIZER_C_OBJS) $(VISUALIZER_CXX_OBJS) |
171 |
|
|
172 |
|
SUBDIRS = obj |
173 |
|
|
174 |
|
# Possible make targets: |
175 |
|
|
176 |
< |
all: forcer |
176 |
> |
all: shaper visualizer shaperCGI |
177 |
|
|
178 |
< |
forcer$(EXE) : $(OBJS) |
179 |
< |
$(CXX) $(CFLAGS) $(OBJS) -o $@ $(LDFLAGS) $(LDADD) |
178 |
> |
shaper$(EXE) : $(SHAPER_OBJS) |
179 |
> |
$(CXX) $(CFLAGS) $(SHAPER_OBJS) -o $@ $(LDFLAGS) $(LDADD) $(FFTWLIB) |
180 |
|
|
181 |
< |
install : $(FORCER) |
181 |
> |
shaperCGI$(EXE) : $(SHAPERCGI_OBJS) |
182 |
> |
$(CXX) $(CFLAGS) $(SHAPERCGI_OBJS) -o $@ $(LDFLAGS) $(LDADD) $(FFTWLIB) $(CGICCLIB) |
183 |
> |
|
184 |
> |
visualizer$(EXE) : $(VISUALIZER_OBJS) |
185 |
> |
$(CXX) $(CFLAGS) $(VISUALIZER_OBJS) -o $@ $(LDFLAGS) $(LDADD) |
186 |
> |
|
187 |
> |
install : $(SHAPER) $(VISUALIZER) $(SHAPERCGI) |
188 |
|
$(MKINSTALLDIRS) $(SHAPES_HOME)/bin |
189 |
< |
$(INSTALL_PROGRAM) -s $(FORCER) $(SHAPES_HOME)/bin/$(FORCER) |
189 |
> |
$(INSTALL_PROGRAM) -s $(SHAPER) $(SHAPES_HOME)/bin/$(SHAPER) |
190 |
> |
$(INSTALL_PROGRAM) -s $(SHAPERCGI) $(SHAPES_HOME)/bin/$(SHAPERCGI) |
191 |
> |
$(INSTALL_PROGRAM) -s $(VISUALIZER) $(SHAPES_HOME)/bin/$(VISUALIZER) |
192 |
|
$(MKINSTALLDIRS) $(VDW_PARAM_DIR) |
193 |
|
for i in $(VDW_FILES); do \ |
194 |
|
echo "Installing $$i in $(VDW_PARAM_DIR)\n"; \ |
202 |
|
for i in $(SUBDIRS); do \ |
203 |
|
(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
204 |
|
done |
205 |
< |
$(RM) forcer *.o *.mod *~ Make.temp |
205 |
> |
$(RM) shaper visualizer *.o *.mod *~ Make.temp |
206 |
|
|
207 |
|
distclean : dummy |
208 |
|
for i in $(SUBDIRS); do \ |
209 |
|
(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
210 |
|
done |
211 |
< |
$(RM) forcer *.o *.mod *~ Make.temp |
211 |
> |
$(RM) shaper visualizer *.o *.mod *~ Make.temp |
212 |
|
|
213 |
|
depend : Make.dep |
214 |
|
|
215 |
|
Make.dep : |
216 |
|
echo "Only C dependencies are made automagically!" |
217 |
|
echo "# DO NOT DELETE THIS LINE - used by make depend" > Make.dep |
218 |
< |
$(CC) $(DEPFLAGS) -MM $(C_SRCS) \ |
218 |
> |
$(CC) $(DEPFLAGS) -MM $(SHAPER_C_SRCS) $(VISUALIZER_C_SRCS) $(SHAPERCGI_C_SRCS) \ |
219 |
|
| sed 's/\.o:/\$$(O)\ :/g' > Make.temp |
220 |
< |
$(CXX) $(DEPFLAGS) -MM $(CXX_SRCS) \ |
220 |
> |
$(CXX) $(DEPFLAGS) -MM $(SHAPER_CXX_SRCS) $(VISUALIZER_CXX_SRCS) $(SHAPERCGI_CXX_SRCS) \ |
221 |
|
| sed 's/\.o:/\$$(O)\ :/g' >> Make.temp |
222 |
|
cat Make.temp | sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep |
223 |
|
$(RM) Make.temp |