| 1 |
gezelter |
1240 |
##################################################### |
| 2 |
|
|
# Makefile for libmdtools (bundled with OOPSE) # |
| 3 |
|
|
##################################################### |
| 4 |
|
|
# You should not change anything here. # |
| 5 |
|
|
##################################################### |
| 6 |
|
|
|
| 7 |
|
|
# No make rules by default |
| 8 |
|
|
.SUFFIXES : .c .cpp .hpp .h $(O) |
| 9 |
|
|
|
| 10 |
|
|
# Extension of object files |
| 11 |
|
|
O=.o |
| 12 |
|
|
|
| 13 |
|
|
# Extension of executables |
| 14 |
|
|
EXE= |
| 15 |
|
|
|
| 16 |
|
|
# Bourn shell |
| 17 |
|
|
SHELL=/bin/sh |
| 18 |
|
|
|
| 19 |
|
|
# Path prefix for installation links |
| 20 |
|
|
PREFIX=/usr/local |
| 21 |
|
|
|
| 22 |
|
|
# List of subdirectories |
| 23 |
|
|
SUBDIRS=libBASS libmdtools src forceFields samples utils utils/sysbuilder staticProps third-party shapes |
| 24 |
|
|
|
| 25 |
|
|
# Location of the oopse home |
| 26 |
|
|
OOPSE_HOME=/usr/local/oopse |
| 27 |
|
|
|
| 28 |
|
|
FORCE_PARAM_DIR=/usr/local/oopse/share/forceFields/ |
| 29 |
|
|
SAMPLE_SIM_DIR=/usr/local/oopse/share/samples/ |
| 30 |
|
|
|
| 31 |
|
|
# SPRNG library path |
| 32 |
|
|
SPRNG_LIBDIR=/usr/local/lib |
| 33 |
|
|
|
| 34 |
|
|
# SPRNG library |
| 35 |
|
|
SPRNG_LIB=-lsprng |
| 36 |
|
|
|
| 37 |
|
|
# SPRNG include path |
| 38 |
|
|
SPRNG_INC=-I/usr/local/include/sprng |
| 39 |
|
|
|
| 40 |
|
|
# MPICH library path |
| 41 |
|
|
MPI_LIBDIR=/usr/local/mpich/lib |
| 42 |
|
|
|
| 43 |
|
|
# MPICH library |
| 44 |
|
|
MPI_LIB=-lmpich |
| 45 |
|
|
|
| 46 |
|
|
# MPICH include path |
| 47 |
|
|
MPI_INC=/usr/local/mpich/include |
| 48 |
|
|
|
| 49 |
|
|
# MODDIRFLAG |
| 50 |
|
|
MODDIRFLAG=-I |
| 51 |
|
|
|
| 52 |
|
|
# Location of yacc (or its substitution) |
| 53 |
|
|
YACC=bison -y |
| 54 |
|
|
|
| 55 |
|
|
#location of lex |
| 56 |
|
|
LEX=flex |
| 57 |
|
|
|
| 58 |
|
|
# C compiler |
| 59 |
|
|
CC=icc8 |
| 60 |
|
|
|
| 61 |
|
|
# C++ compiler |
| 62 |
|
|
|
| 63 |
|
|
CXX=icpc8 |
| 64 |
|
|
|
| 65 |
|
|
# ar |
| 66 |
|
|
AR=ar |
| 67 |
|
|
|
| 68 |
|
|
# ranlib |
| 69 |
|
|
RANLIB=ranlib |
| 70 |
|
|
|
| 71 |
|
|
# rm |
| 72 |
|
|
RM=rm -f |
| 73 |
|
|
|
| 74 |
|
|
# soft link |
| 75 |
|
|
LN_S=ln -s |
| 76 |
|
|
|
| 77 |
|
|
# BSD install |
| 78 |
|
|
INSTALL=/usr/bin/install -c |
| 79 |
|
|
INSTALL_PROGRAM=${INSTALL} |
| 80 |
|
|
INSTALL_DATA=${INSTALL} -m 644 |
| 81 |
|
|
MKINSTALLDIRS=/home/maul/gezelter/gezelter/OOPSE/ac-tools/shtool mkdir -p -f |
| 82 |
|
|
|
| 83 |
|
|
# CPP flags |
| 84 |
|
|
CPPFLAGS= |
| 85 |
|
|
|
| 86 |
|
|
# C flags |
| 87 |
|
|
CFLAGS_C=-O3 |
| 88 |
|
|
|
| 89 |
|
|
# C++ flags |
| 90 |
|
|
CXXFLAGS_C=-O3 |
| 91 |
|
|
|
| 92 |
|
|
# C++ template flags |
| 93 |
|
|
OOPSE_TEMPLATE_FLAGS= |
| 94 |
|
|
|
| 95 |
|
|
# C++ namespace flags |
| 96 |
|
|
EXTRA_CC_FLAG= |
| 97 |
|
|
|
| 98 |
|
|
# Preprocessor flag for fortran |
| 99 |
|
|
PREPFLAG= |
| 100 |
|
|
|
| 101 |
|
|
# Preprocessor define flag for fortran |
| 102 |
|
|
PREPDEFFLAG= |
| 103 |
|
|
|
| 104 |
|
|
# LDFLAGS |
| 105 |
|
|
LDFLAGS= -L/usr/local/mpich/lib |
| 106 |
|
|
|
| 107 |
|
|
# First do compile-time flags: |
| 108 |
|
|
|
| 109 |
|
|
DECLARE=-DFRC_PATH="$(FORCE_PARAM_DIR)" |
| 110 |
|
|
MPI_DECLARE=-DIS_MPI |
| 111 |
|
|
|
| 112 |
|
|
# include paths starting with "." are all relative to the SUBDIRS!!! |
| 113 |
|
|
|
| 114 |
|
|
INCLUDES= -I.. -I../../libBASS $(SPRNG_INC) |
| 115 |
|
|
MPI_INCLUDES= -I$(MPI_INC) |
| 116 |
|
|
|
| 117 |
|
|
CFLAGS=$(CFLAGS_C) $(INCLUDES) $(DECLARE) $(MPI_INCLUDES) $(FUNCWRAP) |
| 118 |
|
|
CXXFLAGS=$(CXXFLAGS_C) $(OOPSE_TEMPLATE_FLAGS) $(EXTRA_CC_FLAG) $(INCLUDES) $(DECLARE) $(FUNCWRAP) |
| 119 |
|
|
DEPFLAGS=$(CFLAGS_C) -I. -I../libBASS $(SPRNG_INC) $(MPI_INCLUDES) |
| 120 |
|
|
|
| 121 |
|
|
MPI_CFLAGS=$(CFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE) |
| 122 |
|
|
MPI_CXXFLAGS=$(CXXFLAGS) $(MPI_INCLUDES) $(MPI_DECLARE) |
| 123 |
|
|
|
| 124 |
|
|
SRC_DIR := .. |
| 125 |
|
|
|
| 126 |
|
|
FORCER=forcer$(EXE) |
| 127 |
|
|
LDADD=-lz |
| 128 |
|
|
|
| 129 |
|
|
# Then do the compile rules: |
| 130 |
|
|
|
| 131 |
|
|
obj/%.o: %.cpp |
| 132 |
|
|
cd obj; $(CXX) $(CXXFLAGS) -c $(SRC_DIR)/$< |
| 133 |
|
|
|
| 134 |
|
|
MPIobj/%.o: %.cpp |
| 135 |
|
|
cd MPIobj; $(CXX) $(MPI_CXXFLAGS) -c $(SRC_DIR)/$< |
| 136 |
|
|
|
| 137 |
|
|
obj/%.o: %.c |
| 138 |
|
|
cd obj; $(CC) $(CFLAGS) -c $(SRC_DIR)/$< |
| 139 |
|
|
|
| 140 |
|
|
MPIobj/%.o: %.c |
| 141 |
|
|
cd MPIobj; $(CC) $(MPI_CFLAGS) -c $(SRC_DIR)/$< |
| 142 |
|
|
|
| 143 |
|
|
# Then list what we have to compile |
| 144 |
|
|
# |
| 145 |
|
|
C_FILES = \ |
| 146 |
|
|
$(DIR)/forcerCmd.c |
| 147 |
|
|
|
| 148 |
|
|
CXX_FILES = \ |
| 149 |
|
|
$(DIR)/forcer.cpp \ |
| 150 |
|
|
$(DIR)/PDBReader.cpp \ |
| 151 |
|
|
$(DIR)/VDWAtom.cpp |
| 152 |
|
|
|
| 153 |
|
|
DIR:=. |
| 154 |
|
|
C_SRCS := $(C_FILES) |
| 155 |
|
|
CXX_SRCS := $(CXX_FILES) |
| 156 |
|
|
SRCS := $(C_SRCS) $(CXX_SRCS) |
| 157 |
|
|
|
| 158 |
|
|
DIR:=obj |
| 159 |
|
|
C_OBJS := $(C_FILES:.c=.o) |
| 160 |
|
|
CXX_OBJS := $(CXX_FILES:.cpp=.o) |
| 161 |
|
|
OBJS := $(C_OBJS) $(CXX_OBJS) |
| 162 |
|
|
|
| 163 |
|
|
DIR:=MPIobj |
| 164 |
|
|
C_MPIOBJS := $(C_FILES:.c=.o) |
| 165 |
|
|
CXX_MPIOBJS := $(CXX_FILES:.cpp=.o) |
| 166 |
|
|
MPIOBJS := $(C_MPIOBJS) $(CXX_MPIOBJS) |
| 167 |
|
|
|
| 168 |
|
|
SUBDIRS = obj \ |
| 169 |
|
|
MPIobj |
| 170 |
|
|
|
| 171 |
|
|
# Possible make targets: |
| 172 |
|
|
|
| 173 |
|
|
all: forcer |
| 174 |
|
|
|
| 175 |
|
|
forcer$(EXE) : $(OBJS) |
| 176 |
|
|
$(CXX) $(CFLAGS) $(OBJS) -o $@ $(LDFLAGS) $(LDADD) |
| 177 |
|
|
|
| 178 |
|
|
install : $(FORCER) |
| 179 |
|
|
$(MKINSTALLDIRS) $(OOPSE_HOME)/bin |
| 180 |
|
|
$(INSTALL_PROGRAM) -s $(FORCER) $(OOPSE_HOME)/bin/$(FORCER) |
| 181 |
|
|
|
| 182 |
|
|
|
| 183 |
|
|
.PHONY : clean |
| 184 |
|
|
|
| 185 |
|
|
clean : dummy |
| 186 |
|
|
for i in $(LIBSUBDIRS); do \ |
| 187 |
|
|
(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
| 188 |
|
|
done |
| 189 |
|
|
$(RM) forcer *.o *.mod *~ Make.temp Make.ftemp |
| 190 |
|
|
|
| 191 |
|
|
distclean : dummy |
| 192 |
|
|
for i in $(LIBSUBDIRS); do \ |
| 193 |
|
|
(cd $$i; $(RM) *.o *.mod) || exit 1; \ |
| 194 |
|
|
done |
| 195 |
|
|
$(RM) forcer *.o *.mod *~ Make.temp Make.ftemp |
| 196 |
|
|
|
| 197 |
|
|
depend : Make.dep |
| 198 |
|
|
|
| 199 |
|
|
Make.dep : |
| 200 |
|
|
echo "Only C dependencies are made automagically!" |
| 201 |
|
|
echo "# DO NOT DELETE THIS LINE - used by make depend" > Make.dep |
| 202 |
|
|
$(CC) $(DEPFLAGS) -MM $(C_SRCS) \ |
| 203 |
|
|
| sed 's/\.o:/\$$(O)\ :/g' > Make.temp |
| 204 |
|
|
$(CXX) $(DEPFLAGS) -MM $(CXX_SRCS) \ |
| 205 |
|
|
| sed 's/\.o:/\$$(O)\ :/g' >> Make.temp |
| 206 |
|
|
cat Make.temp | sed 's/^[a-zA-Z0-9]/obj\/&/g' >> Make.dep |
| 207 |
|
|
cat Make.temp | sed 's/^[a-zA-Z0-9]/MPIobj\/&/g' >> Make.dep |
| 208 |
|
|
# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d obj -f ./Make.ftemp -h *.F90 |
| 209 |
|
|
# ../scripts/sfmakedepend -I $(MPI_F90_MODS) -d MPIobj -f ./Make.ftemp -h *.F90 |
| 210 |
|
|
# cat Make.ftemp | sed 's/\.o:/\$$(O)\ :/g' >> Make.dep |
| 211 |
|
|
$(RM) Make.ftemp Make.temp |
| 212 |
|
|
|
| 213 |
|
|
install : dummy |
| 214 |
|
|
|
| 215 |
|
|
links : dummy |
| 216 |
|
|
|
| 217 |
|
|
tests : dummy |
| 218 |
|
|
|
| 219 |
|
|
dummy : |
| 220 |
|
|
|
| 221 |
|
|
include Make.dep |
