| 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=gcc |
| 28 |
|
|
| 29 |
|
# C++ compiler |
| 30 |
< |
CXX=icpc8 |
| 30 |
> |
CXX=g++ |
| 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) $(DECLARE) |
| 74 |
> |
CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) |
| 75 |
> |
CXXFLAGS=$(CXXFLAGS_C) $(INCLUDES) $(DECLARE) |
| 76 |
|
DEPFLAGS=$(CFLAGS_C) -I. |
| 77 |
|
|
| 78 |
|
SRC_DIR := .. |
| 92 |
|
# |
| 93 |
|
C_FILES = \ |
| 94 |
|
$(DIR)/forcerCmd.c \ |
| 95 |
< |
$(DIR)/MatVec3.c |
| 95 |
> |
$(DIR)/MatVec3.c \ |
| 96 |
> |
$(DIR)/cospmls.c \ |
| 97 |
> |
$(DIR)/makeweights.c \ |
| 98 |
> |
$(DIR)/naive_synthesis.c \ |
| 99 |
> |
$(DIR)/pmls.c \ |
| 100 |
> |
$(DIR)/primitive.c \ |
| 101 |
> |
$(DIR)/seminaive.c \ |
| 102 |
> |
$(DIR)/FST_semi_memo.c |
| 103 |
|
|
| 104 |
|
CXX_FILES = \ |
| 105 |
|
$(DIR)/forcer.cpp \ |
| 106 |
|
$(DIR)/PDBReader.cpp \ |
| 107 |
|
$(DIR)/RigidBody.cpp \ |
| 108 |
< |
$(DIR)/VDWAtom.cpp |
| 108 |
> |
$(DIR)/VDWAtom.cpp \ |
| 109 |
> |
$(DIR)/GridBuilder.cpp \ |
| 110 |
> |
$(DIR)/SphereHarm.cpp |
| 111 |
|
|
| 112 |
|
VDW_FILES= \ |
| 113 |
|
amber99.vdw \ |
| 133 |
|
all: forcer |
| 134 |
|
|
| 135 |
|
forcer$(EXE) : $(OBJS) |
| 136 |
< |
$(CXX) $(CFLAGS) $(OBJS) -o $@ $(LDFLAGS) $(LDADD) |
| 136 |
> |
$(CXX) $(CFLAGS) $(OBJS) -o $@ $(LDFLAGS) $(LDADD) $(FFTWLIB) |
| 137 |
|
|
| 138 |
|
install : $(FORCER) |
| 139 |
|
$(MKINSTALLDIRS) $(SHAPES_HOME)/bin |
| 148 |
|
.PHONY : clean |
| 149 |
|
|
| 150 |
|
clean : dummy |
| 151 |
< |
for i in $(LIBSUBDIRS); do \ |
| 151 |
> |
for i in $(SUBDIRS); do \ |
| 152 |
|
(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
| 153 |
|
done |
| 154 |
< |
$(RM) forcer *.o *.mod *~ Make.temp Make.ftemp |
| 154 |
> |
$(RM) forcer *.o *.mod *~ Make.temp |
| 155 |
|
|
| 156 |
|
distclean : dummy |
| 157 |
< |
for i in $(LIBSUBDIRS); do \ |
| 157 |
> |
for i in $(SUBDIRS); do \ |
| 158 |
|
(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
| 159 |
|
done |
| 160 |
< |
$(RM) forcer *.o *.mod *~ Make.temp Make.ftemp |
| 160 |
> |
$(RM) forcer *.o *.mod *~ Make.temp |
| 161 |
|
|
| 162 |
|
depend : Make.dep |
| 163 |
|
|
| 169 |
|
$(CXX) $(DEPFLAGS) -MM $(CXX_SRCS) \ |
| 170 |
|
| sed 's/\.o:/\$$(O)\ :/g' >> Make.temp |
| 171 |
|
cat Make.temp | sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep |
| 172 |
< |
# cat Make.temp | sed 's/^[a-zA-Z0-9]/MPIobj\/&/g' >> Make.dep |
| 160 |
< |
$(RM) Make.ftemp Make.temp |
| 172 |
> |
$(RM) Make.temp |
| 173 |
|
|
| 174 |
|
install : dummy |
| 175 |
|
|
