52 |
|
selection \ |
53 |
|
restraints \ |
54 |
|
lattice \ |
55 |
< |
|
55 |
> |
hydrodynamics \ |
56 |
> |
openbabel\ |
57 |
> |
antlr\ |
58 |
> |
mdParser |
59 |
|
#packages containing applications |
60 |
|
Applications = \ |
61 |
|
applications/oopse \ |
62 |
|
applications/dump2Xyz \ |
63 |
|
applications/staticProps \ |
64 |
|
applications/dynamicProps \ |
65 |
< |
applications/simpleBuilder\ |
65 |
> |
applications/simpleBuilder \ |
66 |
> |
applications/randomBuilder \ |
67 |
|
applications/nanoRodBuilder \ |
68 |
+ |
applications/nanoparticleBuilder \ |
69 |
+ |
applications/atom2mdin \ |
70 |
+ |
applications/hydrodynamics \ |
71 |
+ |
applications/utilities |
72 |
|
|
73 |
+ |
|
74 |
|
Samples = \ |
75 |
+ |
samples/alkane \ |
76 |
|
samples/argon \ |
77 |
< |
samples/water/dimer \ |
77 |
> |
samples/cutoff \ |
78 |
> |
samples/dipole \ |
79 |
> |
samples/gbljtest \ |
80 |
> |
samples/lipid \ |
81 |
> |
samples/metals/EAM \ |
82 |
> |
samples/metals/EAM/nanoparticle \ |
83 |
> |
samples/metals/EAM/nanorod \ |
84 |
> |
samples/metals/Sutton-Chen \ |
85 |
> |
samples/minimizer \ |
86 |
> |
samples/shape \ |
87 |
> |
samples/thermoIntegration/liquid \ |
88 |
> |
samples/thermoIntegration/solid \ |
89 |
> |
samples/water/dimer \ |
90 |
|
samples/water/spce \ |
91 |
|
samples/water/ssd \ |
92 |
|
samples/water/ssde \ |
93 |
+ |
samples/water/ssdrf \ |
94 |
+ |
samples/water/ssd-ion \ |
95 |
|
samples/water/tip3p_ice \ |
96 |
|
samples/water/tip4p \ |
97 |
< |
samples/lipid \ |
74 |
< |
samples/alkane \ |
75 |
< |
samples/minimizer \ |
76 |
< |
samples/metals \ |
77 |
< |
samples/zcons \ |
97 |
> |
samples/zcons |
98 |
|
|
99 |
|
IncludeDirs = \ |
100 |
+ |
@MPI_INC_DIR@ \ |
101 |
+ |
@FFTW_INC_DIR@ \ |
102 |
|
@CGAL_INC_DIR@ \ |
103 |
< |
@MPI_INC_DIR@ |
103 |
> |
@ZLIB_INC_DIR@ |
104 |
|
|
105 |
|
LibraryDirs = \ |
106 |
+ |
@MPI_LIB_DIR@ \ |
107 |
+ |
@FFTW_LIB_DIR@ \ |
108 |
|
@CGAL_LIB_DIR@ \ |
109 |
< |
@MPI_LIB_DIR@ |
109 |
> |
@ZLIB_LIB_DIR@ |
110 |
|
|
111 |
|
Libraries = \ |
112 |
< |
@CGAL_LIBS@ \ |
112 |
> |
@LIBS@ \ |
113 |
|
@MPI_LIB@ \ |
114 |
< |
@MPI_F90_LIB@ |
114 |
> |
@MPI_F90_LIB@ \ |
115 |
> |
@FFTW_LIBS@ \ |
116 |
> |
@CGAL_LIBS@ \ |
117 |
> |
@ZLIB@ |
118 |
|
|
119 |
|
OopseHome = @OOPSE_HOME@ |
120 |
|
ForceParamDir = $(OopseHome)/share/forceFields |
123 |
|
DocDir = $(OopseHome)/doc |
124 |
|
FrcDeclare = -DFRC_PATH="$(ForceParamDir)" |
125 |
|
F90Declare = -D__FORTRAN90 |
126 |
+ |
UseSingle = @USE_SINGLE_PRECISION@ |
127 |
+ |
ifeq "$(UseSingle)" "yes" |
128 |
+ |
SingleDeclare = -DSINGLE_PRECISION |
129 |
+ |
else |
130 |
+ |
SingleDeclare = |
131 |
+ |
endif |
132 |
|
ParallelDeclare = -DIS_MPI |
133 |
+ |
SinglePrecision = -DSINGLE_PRECISION |
134 |
|
UseMPI = @USE_MPI@ |
135 |
|
ModuleCase = @F90_MODULE_NAMES@ |
136 |
|
ModSuffix = @MOD@ |
137 |
|
LinkOptions = \ |
138 |
< |
@F90LIBS@ |
138 |
> |
@LDFLAGS@ \ |
139 |
> |
@FCLIBS@ \ |
140 |
> |
@CXXFLAGS@ |
141 |
> |
|
142 |
|
|
143 |
|
ParallelLinkOptions = \ |
144 |
< |
@F90LIBS@ |
144 |
> |
@LDFLAGS@ \ |
145 |
> |
@FCLIBS@ \ |
146 |
> |
@CXXFLAGS@ |
147 |
|
|
148 |
|
|
149 |
|
#--------------------------------------------------------------------------- |
157 |
|
ParallelTargetDir = $(DEV_ROOT)/MPIobj |
158 |
|
LibDir = $(DEV_ROOT)/lib |
159 |
|
MakeDir = $(DEV_ROOT)/make |
160 |
+ |
MainMakefile = $(MakeDir)/Makefile |
161 |
|
BinDir = $(DEV_ROOT)/bin |
162 |
|
DocsDir = $(DEV_ROOT)/docs |
163 |
|
CurrentDir = $(CURDIR) |
365 |
|
CppCompiler = @CXX@ |
366 |
|
Linker = @CXX@ |
367 |
|
MakeDepend = makedepend |
368 |
+ |
LN_S = @LN_S@ |
369 |
|
INSTALL = @INSTALL@ |
370 |
+ |
EGREP = @EGREP@ |
371 |
|
InstallProgram = @INSTALL_PROGRAM@ |
372 |
|
InstallScript = @INSTALL_SCRIPT@ |
373 |
|
InstallData = @INSTALL_DATA@ |
374 |
|
MkDir = @MKINSTALLDIRS@ |
375 |
< |
Delete = rm -fr |
375 |
> |
Delete = rm -f |
376 |
|
StaticArchiver = @AR@ |
377 |
|
DynamicArchiver = @CC@ |
378 |
|
FortranCompiler = @FC@ |
337 |
– |
F90Compiler = @F90@ |
379 |
|
JavaCompiler = $(JAVA_HOME)/bin/javac |
380 |
|
JavaArchiver = $(JAVA_HOME)/bin/jar |
381 |
|
JarSigner = $(JAVA_HOME)/bin/jarsigner |
399 |
|
JniOptions = |
400 |
|
RmiOptions = -d $(TargetDir) -classpath $(ClassPath) \ |
401 |
|
-sourcepath $(SourceDir) |
402 |
< |
COptions = $(FrcDeclare) @CFLAGS@ |
403 |
< |
CParallelOptions = $(FrcDeclare) $(ParallelDeclare) @CFLAGS@ |
404 |
< |
CppOptions = $(FrcDeclare) @CXXFLAGS@ @OOPSE_TEMPLATE_FLAGS@ |
405 |
< |
CppParallelOptions = $(FrcDeclare) $(ParallelDeclare) @CXXFLAGS@ @OOPSE_TEMPLATE_FLAGS@ |
406 |
< |
FortranOptions = |
407 |
< |
F90Options = @PREPFLAG@ @F90FLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(TargetDir) |
408 |
< |
F90ParallelOptions = @PREPFLAG@ @F90FLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(ParallelTargetDir) @PREPDEFFLAG@$(ParallelDeclare) |
402 |
> |
COptions = $(FrcDeclare) $(SingleDeclare) @CFLAGS@ |
403 |
> |
CParallelOptions = $(FrcDeclare) $(SingleDeclare) $(ParallelDeclare) @CFLAGS@ |
404 |
> |
CppOptions = $(FrcDeclare) $(SingleDeclare) @CXXFLAGS@ |
405 |
> |
CppParallelOptions = $(FrcDeclare) $(SingleDeclare) $(ParallelDeclare) @CXXFLAGS@ |
406 |
> |
ifeq "$(UseSingle)" "yes" |
407 |
> |
FortranOptions = @FCFLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(TargetDir) @PREPDEFFLAG@$(SingleDeclare) @FCFLAGS_SRCEXT@ |
408 |
> |
FortranParallelOptions = @FCFLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(ParallelTargetDir) @PREPDEFFLAG@$(SingleDeclare) @PREPDEFFLAG@$(ParallelDeclare) @FCFLAGS_SRCEXT@ |
409 |
> |
else |
410 |
> |
FortranOptions = @FCFLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(TargetDir) @FCFLAGS_SRCEXT@ |
411 |
> |
FortranParallelOptions = @FCFLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(ParallelTargetDir) @PREPDEFFLAG@$(ParallelDeclare) @FCFLAGS_SRCEXT@ |
412 |
> |
endif |
413 |
|
JavaCompilerOptions = -d $(TargetDir) -classpath $(ClassPath) \ |
414 |
|
-sourcepath $(SourceDir) -deprecation |
415 |
|
JavaRunOptions = -classpath $(ClassPath) |
446 |
|
InstallCommand = $(InstallData) |
447 |
|
endif |
448 |
|
|
449 |
+ |
ifneq "$(words $(ScriptFiles))" "0" |
450 |
+ |
MyInstallDir = $(InstallBinDir) |
451 |
+ |
InstallFiles = $(ScriptFiles) |
452 |
+ |
InstallCommand = $(InstallProgram) |
453 |
+ |
endif |
454 |
+ |
|
455 |
|
ifneq "$(words $(Main))" "0" |
456 |
|
MyInstallDir = $(InstallBinDir) |
457 |
|
ifeq "$(UseMPI)" "yes" |
460 |
|
InstallFiles = $(Executable) |
461 |
|
endif |
462 |
|
InstallCommand = $(InstallProgram) |
463 |
+ |
ifneq "$(words $(LinkTargets))" "0" |
464 |
+ |
MyLinkSource = $(patsubst %, $(MyInstallDir)/%,$(Main)) |
465 |
+ |
MyLinkTargets = $(patsubst %, $(MyInstallDir)/%,$(LinkTargets)) |
466 |
+ |
endif |
467 |
|
endif |
468 |
|
|
469 |
|
ifneq "$(words $(ForcefieldFiles))" "0" |
500 |
|
$(MkDir) $@ |
501 |
|
|
502 |
|
# .c -> .o |
503 |
< |
$(PackageTargetDir)/%.o : %.c |
503 |
> |
$(PackageTargetDir)/%.o : %.c $(MainMakefile) |
504 |
|
$(Print) $@ |
505 |
|
$(CCompiler) $(COptions) -c $(IncludePath) $< -o $@ |
506 |
|
|
507 |
< |
$(PackageParallelTargetDir)/%.o : %.c |
507 |
> |
$(PackageParallelTargetDir)/%.o : %.c $(MainMakefile) |
508 |
|
$(Print) $@ |
509 |
|
$(CCompiler) $(CParallelOptions) -c $(IncludePath) $< -o $@ |
510 |
|
|
511 |
|
ifeq "$(UseMPI)" "yes" |
512 |
< |
%.o : %.c |
512 |
> |
%.o : %.c $(MainMakefile) |
513 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
514 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
515 |
|
else |
516 |
< |
%.o : %.c |
516 |
> |
%.o : %.c $(MainMakefile) |
517 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
518 |
|
endif |
519 |
|
|
520 |
|
# .cpp -> .o |
521 |
< |
$(PackageTargetDir)/%.o : %.cpp |
521 |
> |
$(PackageTargetDir)/%.o : %.cpp $(MainMakefile) |
522 |
|
$(CppCompiler) $(CppOptions) -c $(IncludePath) $< -o $@ |
523 |
|
|
524 |
< |
$(PackageParallelTargetDir)/%.o : %.cpp |
524 |
> |
$(PackageParallelTargetDir)/%.o : %.cpp $(MainMakefile) |
525 |
|
$(CppCompiler) $(CppParallelOptions) -c $(IncludePath) $< -o $@ |
526 |
|
|
527 |
|
ifeq "$(UseMPI)" "yes" |
528 |
< |
%.o : %.cpp |
528 |
> |
%.o : %.cpp $(MainMakefile) |
529 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
530 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
531 |
|
else |
532 |
< |
%.o : %.cpp |
532 |
> |
%.o : %.cpp $(MainMakefile) |
533 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
534 |
|
endif |
535 |
|
|
536 |
|
# .f -> .o |
537 |
< |
$(PackageTargetDir)/%.o : %.f |
537 |
> |
$(PackageTargetDir)/%.o : %.f $(MainMakefile) |
538 |
|
$(FortranCompiler) $(FortranOptions) -c $< -o $@ |
539 |
|
|
540 |
< |
$(PackageParallelTargetDir)/%.o : %.f |
540 |
> |
$(PackageParallelTargetDir)/%.o : %.f $(MainMakefile) |
541 |
|
$(FortranCompiler) $(FortranParallelOptions) -c $< -o $@ |
542 |
|
|
543 |
|
ifeq "$(UseMPI)" "yes" |
544 |
< |
%.o : %.f |
544 |
> |
%.o : %.f $(MainMakefile) |
545 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
546 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
547 |
|
else |
548 |
< |
%.o : %.f |
548 |
> |
%.o : %.f $(MainMakefile) |
549 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
550 |
|
endif |
551 |
|
|
552 |
|
# .F90 -> .o |
553 |
< |
$(PackageTargetDir)/%.o : %.F90 |
554 |
< |
$(F90Compiler) $(F90Options) $(IncludePath) -c $< -o $@ |
553 |
> |
$(PackageTargetDir)/%.o : %.F90 $(MainMakefile) |
554 |
> |
$(FortranCompiler) $(FortranOptions) $(IncludePath) -c $< -o $@ |
555 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
556 |
|
$(Move) `ls *.$(ModSuffix)` $(PackageTargetDir);\ |
557 |
|
fi |
558 |
|
|
559 |
< |
$(PackageParallelTargetDir)/%.o : %.F90 |
560 |
< |
$(F90Compiler) $(F90ParallelOptions) $(IncludePath) -c $< -o $@ |
559 |
> |
$(PackageParallelTargetDir)/%.o : %.F90 $(MainMakefile) |
560 |
> |
$(FortranCompiler) $(FortranParallelOptions) $(IncludePath) -c $< -o $@ |
561 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
562 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageParallelTargetDir);\ |
563 |
|
fi |
564 |
|
|
565 |
|
ifeq "$(UseMPI)" "yes" |
566 |
< |
%.o : %.F90 |
566 |
> |
%.o : %.F90 $(MainMakefile) |
567 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
568 |
|
if test -n "`ls *.$(ModSuffix)`"; then\ |
569 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageTargetDir);\ |
575 |
|
fi |
576 |
|
|
577 |
|
else |
578 |
< |
%.o : %.F90 |
578 |
> |
%.o : %.F90 $(MainMakefile) |
579 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
580 |
|
if test -n "`ls *.$(ModSuffix)`"; then\ |
581 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageTargetDir);\ |
682 |
|
$(Doxygen) $(DEV_ROOT)/make/Doxyfile |
683 |
|
|
684 |
|
#GUN make funtions to merge the libraries |
685 |
< |
find_objs = $(shell $(StaticArchiver) -t $(1)) |
685 |
> |
find_objs = $(shell $(StaticArchiver) -t $(1) | $(EGREP) -v "SYMDEF") |
686 |
|
extract_objs = $(shell $(StaticArchiver) -x $(1) $(call find_objs, $(1))) |
687 |
|
create_archive = $(shell $(StaticArchiver) $(StaticArchiverOptions) $(2) $(call find_objs, $(1))) |
688 |
|
remove_objs = $(shell $(Delete) $(call find_objs, $(1))) |
689 |
|
do_create = $(call extract_objs,$(1))$(call create_archive,$(1),$(2))$(call remove_objs,$(1)) |
690 |
+ |
do_link = $(shell $(LN_S) $(1) $(2)) |
691 |
+ |
all_objs = $(foreach thisLib,$(LibNames), $(call find_objs, $(thisLib))) |
692 |
+ |
all_parallel_objs = $(foreach thisLib,$(ParallelLibNames), $(call find_objs, $(thisLib))) |
693 |
+ |
all_lib_objs = $(patsubst %,$(TargetDir)/%,$(call all_objs)) |
694 |
+ |
all_lib_parallel_objs = $(patsubst %,$(ParallelTargetDir)/%,$(call all_parallel_objs)) |
695 |
|
|
696 |
|
$(CombinedStaticLib) : $(LibDir)/.stamp_UP |
697 |
< |
$(Print) create $@ |
698 |
< |
$(foreach thisLib,$(LibNames),$(call do_create,$(thisLib),$@)) |
697 |
> |
$(Print) creating $@ |
698 |
> |
$(StaticArchiver) $(StaticArchiverOptions) $@ $(call all_lib_objs) |
699 |
|
$(Ranlib) $(CombinedStaticLib) |
700 |
|
|
701 |
|
$(CombinedParallelStaticLib) : $(LibDir)/.stamp_MPI |
702 |
< |
$(Print) create $@ |
703 |
< |
$(foreach thisLib,$(ParallelLibNames), $(call do_create, $(thisLib), $@)) |
702 |
> |
$(Print) creating $@ |
703 |
> |
$(StaticArchiver) $(StaticArchiverOptions) $@ $(call all_lib_parallel_objs) |
704 |
|
$(Ranlib) $(CombinedParallelStaticLib) |
705 |
|
|
706 |
|
# Executable |
707 |
< |
$(Executable) : $(CombinedStaticLib) $(ObjectFiles) $(BinDir) |
707 |
> |
$(Executable) : $(CombinedStaticLib) $(ObjectFiles) |
708 |
> |
if test ! -d $(BinDir); then \ |
709 |
> |
$(MkDir) $(BinDir) ;\ |
710 |
> |
fi |
711 |
|
$(Linker) $(ObjectFiles) $(CombinedStaticLib) $(LinkOptions) $(LibDirs) $(Libraries) -o $@ |
712 |
|
|
713 |
< |
$(ParallelExecutable) : $(CombinedParallelStaticLib) $(ParallelObjectFiles) $(BinDir) |
713 |
> |
$(ParallelExecutable) : $(CombinedParallelStaticLib) $(ParallelObjectFiles) |
714 |
> |
if test ! -d $(BinDir); then \ |
715 |
> |
$(MkDir) $(BinDir) ;\ |
716 |
> |
fi |
717 |
|
$(Linker) $(ParallelObjectFiles) $(CombinedParallelStaticLib) $(ParallelLinkOptions) $(LibDirs) $(Libraries) -o $@ |
718 |
|
|
719 |
|
# Anything else is just copied from source to target |
857 |
|
install : $(InstallListLoop) |
858 |
|
$(Print) Done Install |
859 |
|
|
860 |
< |
_installall : _buildall _installdata |
860 |
> |
_installall : _buildall _installdata _installlinks |
861 |
|
|
862 |
|
$(MyInstallDir) : |
863 |
|
$(MkDir) $@ |
868 |
|
$(InstallCommand) $(InstallFiles) $(MyInstallDir) |
869 |
|
endif |
870 |
|
|
871 |
+ |
_installlinks : $(MyInstallDir) |
872 |
+ |
ifneq "$(words $(MyLinkTargets))" "0" |
873 |
+ |
@cd $(MyInstallDir) |
874 |
+ |
$(foreach thisLink,$(MyLinkTargets),$(call do_link,$(MyLinkSource),$(thisLink))) |
875 |
+ |
endif |
876 |
+ |
|
877 |
|
# make statistics |
878 |
|
_statisticsall : |
879 |
|
@$(Print) $(patsubst %,$(CurrentDir)/%,$(SourceFiles)) >> $(DEV_ROOT)/files.tmp |
884 |
|
$(Print) Done statistics. |
885 |
|
|
886 |
|
# make pure |
887 |
< |
$(Executable).pure : |
888 |
< |
$(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \ |
889 |
< |
$(LibList) $(ObjectFiles) -o $@ |
887 |
> |
#$(Executable).pure : |
888 |
> |
# $(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \ |
889 |
> |
# $(LibList) $(ObjectFiles) -o $@ |
890 |
> |
# |
891 |
> |
#pure : $(Executable).pure |
892 |
|
|
819 |
– |
pure : $(Executable).pure |
820 |
– |
|
893 |
|
#make cvslog |
894 |
|
cvslog: |
895 |
|
$(DEV_ROOT)/scripts/cvs2cl |