52 |
|
selection \ |
53 |
|
restraints \ |
54 |
|
lattice \ |
55 |
< |
|
55 |
> |
openbabel\ |
56 |
> |
antlr\ |
57 |
> |
mdParser |
58 |
|
#packages containing applications |
59 |
|
Applications = \ |
60 |
|
applications/oopse \ |
63 |
|
applications/dynamicProps \ |
64 |
|
applications/simpleBuilder\ |
65 |
|
applications/nanoRodBuilder \ |
66 |
+ |
applications/atom2mdin |
67 |
|
|
68 |
|
Samples = \ |
69 |
|
samples/argon \ |
70 |
< |
samples/water/dimer \ |
70 |
> |
samples/water/dimer \ |
71 |
|
samples/water/spce \ |
72 |
|
samples/water/ssd \ |
73 |
|
samples/water/ssde \ |
74 |
+ |
samples/water/ssdrf \ |
75 |
+ |
samples/water/ssd-ion \ |
76 |
|
samples/water/tip3p_ice \ |
77 |
|
samples/water/tip4p \ |
78 |
|
samples/lipid \ |
79 |
|
samples/alkane \ |
80 |
|
samples/minimizer \ |
81 |
|
samples/metals \ |
82 |
+ |
samples/metals/EAM \ |
83 |
+ |
samples/metals/EAM/nanoparticle \ |
84 |
+ |
samples/metals/EAM/nanorod \ |
85 |
+ |
samples/metals/Sutton-Chen \ |
86 |
+ |
samples/thermoIntegration/liquid \ |
87 |
+ |
samples/thermoIntegration/solid \ |
88 |
+ |
samples/dipole \ |
89 |
+ |
samples/shape \ |
90 |
|
samples/zcons \ |
91 |
|
|
92 |
|
IncludeDirs = \ |
93 |
< |
@MPI_INC_DIR@ |
93 |
> |
@CGAL_INC_DIR@ \ |
94 |
> |
@MPI_INC_DIR@ |
95 |
|
|
96 |
|
LibraryDirs = \ |
97 |
+ |
@CGAL_LIB_DIR@ \ |
98 |
|
@MPI_LIB_DIR@ |
99 |
|
|
100 |
|
Libraries = \ |
101 |
+ |
@LIBS@ \ |
102 |
+ |
@CGAL_LIBS@ \ |
103 |
|
@MPI_LIB@ \ |
104 |
< |
@MPI_F90_LIB@ |
104 |
> |
@MPI_F90_LIB@ |
105 |
|
|
106 |
|
OopseHome = @OOPSE_HOME@ |
107 |
|
ForceParamDir = $(OopseHome)/share/forceFields |
115 |
|
ModuleCase = @F90_MODULE_NAMES@ |
116 |
|
ModSuffix = @MOD@ |
117 |
|
LinkOptions = \ |
118 |
< |
@F90LIBS@ |
118 |
> |
@FCLIBS@ |
119 |
|
|
120 |
|
ParallelLinkOptions = \ |
121 |
< |
@F90LIBS@ |
121 |
> |
@FCLIBS@ |
122 |
|
|
123 |
|
|
124 |
|
#--------------------------------------------------------------------------- |
132 |
|
ParallelTargetDir = $(DEV_ROOT)/MPIobj |
133 |
|
LibDir = $(DEV_ROOT)/lib |
134 |
|
MakeDir = $(DEV_ROOT)/make |
135 |
+ |
MainMakefile = $(MakeDir)/Makefile |
136 |
|
BinDir = $(DEV_ROOT)/bin |
137 |
|
DocsDir = $(DEV_ROOT)/docs |
138 |
|
CurrentDir = $(CURDIR) |
340 |
|
CppCompiler = @CXX@ |
341 |
|
Linker = @CXX@ |
342 |
|
MakeDepend = makedepend |
343 |
+ |
LN_S = @LN_S@ |
344 |
|
INSTALL = @INSTALL@ |
345 |
+ |
EGREP = @EGREP@ |
346 |
|
InstallProgram = @INSTALL_PROGRAM@ |
347 |
|
InstallScript = @INSTALL_SCRIPT@ |
348 |
|
InstallData = @INSTALL_DATA@ |
349 |
|
MkDir = @MKINSTALLDIRS@ |
350 |
< |
Delete = rm -fr |
350 |
> |
Delete = rm -f |
351 |
|
StaticArchiver = @AR@ |
352 |
|
DynamicArchiver = @CC@ |
353 |
|
FortranCompiler = @FC@ |
334 |
– |
F90Compiler = @F90@ |
354 |
|
JavaCompiler = $(JAVA_HOME)/bin/javac |
355 |
|
JavaArchiver = $(JAVA_HOME)/bin/jar |
356 |
|
JarSigner = $(JAVA_HOME)/bin/jarsigner |
376 |
|
-sourcepath $(SourceDir) |
377 |
|
COptions = $(FrcDeclare) @CFLAGS@ |
378 |
|
CParallelOptions = $(FrcDeclare) $(ParallelDeclare) @CFLAGS@ |
379 |
< |
CppOptions = $(FrcDeclare) @CXXFLAGS@ @OOPSE_TEMPLATE_FLAGS@ |
380 |
< |
CppParallelOptions = $(FrcDeclare) $(ParallelDeclare) @CXXFLAGS@ @OOPSE_TEMPLATE_FLAGS@ |
381 |
< |
FortranOptions = |
382 |
< |
F90Options = @PREPFLAG@ @F90FLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(TargetDir) |
364 |
< |
F90ParallelOptions = @PREPFLAG@ @F90FLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(ParallelTargetDir) @PREPDEFFLAG@$(ParallelDeclare) |
379 |
> |
CppOptions = $(FrcDeclare) @CXXFLAGS@ |
380 |
> |
CppParallelOptions = $(FrcDeclare) $(ParallelDeclare) @CXXFLAGS@ |
381 |
> |
FortranOptions = @FCFLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(TargetDir) @FCFLAGS_SRCEXT@ |
382 |
> |
FortranParallelOptions = @FCFLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(ParallelTargetDir) @PREPDEFFLAG@$(ParallelDeclar) @FCFLAGS_SRCEXT@ |
383 |
|
JavaCompilerOptions = -d $(TargetDir) -classpath $(ClassPath) \ |
384 |
|
-sourcepath $(SourceDir) -deprecation |
385 |
|
JavaRunOptions = -classpath $(ClassPath) |
424 |
|
InstallFiles = $(Executable) |
425 |
|
endif |
426 |
|
InstallCommand = $(InstallProgram) |
427 |
+ |
ifneq "$(words $(LinkTargets))" "0" |
428 |
+ |
MyLinkSource = $(patsubst %, $(MyInstallDir)/%,$(Main)) |
429 |
+ |
MyLinkTargets = $(patsubst %, $(MyInstallDir)/%,$(LinkTargets)) |
430 |
+ |
endif |
431 |
|
endif |
432 |
|
|
433 |
|
ifneq "$(words $(ForcefieldFiles))" "0" |
464 |
|
$(MkDir) $@ |
465 |
|
|
466 |
|
# .c -> .o |
467 |
< |
$(PackageTargetDir)/%.o : %.c |
467 |
> |
$(PackageTargetDir)/%.o : %.c $(MainMakefile) |
468 |
|
$(Print) $@ |
469 |
|
$(CCompiler) $(COptions) -c $(IncludePath) $< -o $@ |
470 |
|
|
471 |
< |
$(PackageParallelTargetDir)/%.o : %.c |
471 |
> |
$(PackageParallelTargetDir)/%.o : %.c $(MainMakefile) |
472 |
|
$(Print) $@ |
473 |
|
$(CCompiler) $(CParallelOptions) -c $(IncludePath) $< -o $@ |
474 |
|
|
475 |
|
ifeq "$(UseMPI)" "yes" |
476 |
< |
%.o : %.c |
476 |
> |
%.o : %.c $(MainMakefile) |
477 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
478 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
479 |
|
else |
480 |
< |
%.o : %.c |
480 |
> |
%.o : %.c $(MainMakefile) |
481 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
482 |
|
endif |
483 |
|
|
484 |
|
# .cpp -> .o |
485 |
< |
$(PackageTargetDir)/%.o : %.cpp |
485 |
> |
$(PackageTargetDir)/%.o : %.cpp $(MainMakefile) |
486 |
|
$(CppCompiler) $(CppOptions) -c $(IncludePath) $< -o $@ |
487 |
|
|
488 |
< |
$(PackageParallelTargetDir)/%.o : %.cpp |
488 |
> |
$(PackageParallelTargetDir)/%.o : %.cpp $(MainMakefile) |
489 |
|
$(CppCompiler) $(CppParallelOptions) -c $(IncludePath) $< -o $@ |
490 |
|
|
491 |
|
ifeq "$(UseMPI)" "yes" |
492 |
< |
%.o : %.cpp |
492 |
> |
%.o : %.cpp $(MainMakefile) |
493 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
494 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
495 |
|
else |
496 |
< |
%.o : %.cpp |
496 |
> |
%.o : %.cpp $(MainMakefile) |
497 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
498 |
|
endif |
499 |
|
|
500 |
|
# .f -> .o |
501 |
< |
$(PackageTargetDir)/%.o : %.f |
501 |
> |
$(PackageTargetDir)/%.o : %.f $(MainMakefile) |
502 |
|
$(FortranCompiler) $(FortranOptions) -c $< -o $@ |
503 |
|
|
504 |
< |
$(PackageParallelTargetDir)/%.o : %.f |
504 |
> |
$(PackageParallelTargetDir)/%.o : %.f $(MainMakefile) |
505 |
|
$(FortranCompiler) $(FortranParallelOptions) -c $< -o $@ |
506 |
|
|
507 |
|
ifeq "$(UseMPI)" "yes" |
508 |
< |
%.o : %.f |
508 |
> |
%.o : %.f $(MainMakefile) |
509 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
510 |
|
$(MAKE) $(MakeOptions) $(PackageParallelTargetDir)/$@ |
511 |
|
else |
512 |
< |
%.o : %.f |
512 |
> |
%.o : %.f $(MainMakefile) |
513 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
514 |
|
endif |
515 |
|
|
516 |
|
# .F90 -> .o |
517 |
< |
$(PackageTargetDir)/%.o : %.F90 |
518 |
< |
$(F90Compiler) $(F90Options) $(IncludePath) -c $< -o $@ |
517 |
> |
$(PackageTargetDir)/%.o : %.F90 $(MainMakefile) |
518 |
> |
$(FortranCompiler) $(FortranOptions) $(IncludePath) -c $< -o $@ |
519 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
520 |
|
$(Move) `ls *.$(ModSuffix)` $(PackageTargetDir);\ |
521 |
|
fi |
522 |
|
|
523 |
< |
$(PackageParallelTargetDir)/%.o : %.F90 |
524 |
< |
$(F90Compiler) $(F90ParallelOptions) $(IncludePath) -c $< -o $@ |
523 |
> |
$(PackageParallelTargetDir)/%.o : %.F90 $(MainMakefile) |
524 |
> |
$(FortranCompiler) $(FortranParallelOptions) $(IncludePath) -c $< -o $@ |
525 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
526 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageParallelTargetDir);\ |
527 |
|
fi |
528 |
|
|
529 |
|
ifeq "$(UseMPI)" "yes" |
530 |
< |
%.o : %.F90 |
530 |
> |
%.o : %.F90 $(MainMakefile) |
531 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
532 |
|
if test -n "`ls *.$(ModSuffix)`"; then\ |
533 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageTargetDir);\ |
539 |
|
fi |
540 |
|
|
541 |
|
else |
542 |
< |
%.o : %.F90 |
542 |
> |
%.o : %.F90 $(MainMakefile) |
543 |
|
$(MAKE) $(MakeOptions) $(PackageTargetDir)/$@ |
544 |
|
if test -n "`ls *.$(ModSuffix)`"; then\ |
545 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageTargetDir);\ |
646 |
|
$(Doxygen) $(DEV_ROOT)/make/Doxyfile |
647 |
|
|
648 |
|
#GUN make funtions to merge the libraries |
649 |
< |
find_objs = $(shell $(StaticArchiver) -t $(1)) |
649 |
> |
find_objs = $(shell $(StaticArchiver) -t $(1) | $(EGREP) -v "SYMDEF") |
650 |
|
extract_objs = $(shell $(StaticArchiver) -x $(1) $(call find_objs, $(1))) |
651 |
|
create_archive = $(shell $(StaticArchiver) $(StaticArchiverOptions) $(2) $(call find_objs, $(1))) |
652 |
|
remove_objs = $(shell $(Delete) $(call find_objs, $(1))) |
653 |
|
do_create = $(call extract_objs,$(1))$(call create_archive,$(1),$(2))$(call remove_objs,$(1)) |
654 |
+ |
do_link = $(shell $(LN_S) $(1) $(2)) |
655 |
+ |
all_objs = $(foreach thisLib,$(LibNames), $(call find_objs, $(thisLib))) |
656 |
+ |
all_parallel_objs = $(foreach thisLib,$(ParallelLibNames), $(call find_objs, $(thisLib))) |
657 |
+ |
all_lib_objs = $(patsubst %,$(TargetDir)/%,$(call all_objs)) |
658 |
+ |
all_lib_parallel_objs = $(patsubst %,$(ParallelTargetDir)/%,$(call all_parallel_objs)) |
659 |
|
|
660 |
|
$(CombinedStaticLib) : $(LibDir)/.stamp_UP |
661 |
< |
$(Print) create $@ |
662 |
< |
$(foreach thisLib,$(LibNames),$(call do_create,$(thisLib),$@)) |
661 |
> |
$(Print) creating $@ |
662 |
> |
$(StaticArchiver) $(StaticArchiverOptions) $@ $(call all_lib_objs) |
663 |
|
$(Ranlib) $(CombinedStaticLib) |
664 |
|
|
665 |
|
$(CombinedParallelStaticLib) : $(LibDir)/.stamp_MPI |
666 |
< |
$(Print) create $@ |
667 |
< |
$(foreach thisLib,$(ParallelLibNames), $(call do_create, $(thisLib), $@)) |
666 |
> |
$(Print) creating $@ |
667 |
> |
$(StaticArchiver) $(StaticArchiverOptions) $@ $(call all_lib_parallel_objs) |
668 |
|
$(Ranlib) $(CombinedParallelStaticLib) |
669 |
|
|
670 |
|
# Executable |
815 |
|
install : $(InstallListLoop) |
816 |
|
$(Print) Done Install |
817 |
|
|
818 |
< |
_installall : _buildall _installdata |
818 |
> |
_installall : _buildall _installdata _installlinks |
819 |
|
|
820 |
|
$(MyInstallDir) : |
821 |
|
$(MkDir) $@ |
826 |
|
$(InstallCommand) $(InstallFiles) $(MyInstallDir) |
827 |
|
endif |
828 |
|
|
829 |
+ |
_installlinks : $(MyInstallDir) |
830 |
+ |
ifneq "$(words $(MyLinkTargets))" "0" |
831 |
+ |
@cd $(MyInstallDir) |
832 |
+ |
$(foreach thisLink,$(MyLinkTargets),$(call do_link,$(MyLinkSource),$(thisLink))) |
833 |
+ |
endif |
834 |
+ |
|
835 |
|
# make statistics |
836 |
|
_statisticsall : |
837 |
|
@$(Print) $(patsubst %,$(CurrentDir)/%,$(SourceFiles)) >> $(DEV_ROOT)/files.tmp |
842 |
|
$(Print) Done statistics. |
843 |
|
|
844 |
|
# make pure |
845 |
< |
$(Executable).pure : |
846 |
< |
$(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \ |
847 |
< |
$(LibList) $(ObjectFiles) -o $@ |
845 |
> |
#$(Executable).pure : |
846 |
> |
# $(Purify) $(PurifyOptions) $(CppCompiler) $(LinkOptions) $(LibDirs) \ |
847 |
> |
# $(LibList) $(ObjectFiles) -o $@ |
848 |
> |
# |
849 |
> |
#pure : $(Executable).pure |
850 |
|
|
816 |
– |
pure : $(Executable).pure |
817 |
– |
|
851 |
|
#make cvslog |
852 |
|
cvslog: |
853 |
< |
$(DEV_ROOT)/scripts/cvs2cl.pl |
853 |
> |
$(DEV_ROOT)/scripts/cvs2cl |
854 |
|
|
855 |
|
# Execute |
856 |
|
_runexe : |