52 |
|
selection \ |
53 |
|
restraints \ |
54 |
|
lattice \ |
55 |
< |
openbabel |
56 |
< |
|
55 |
> |
openbabel\ |
56 |
> |
antlr\ |
57 |
> |
mdParser |
58 |
|
#packages containing applications |
59 |
|
Applications = \ |
60 |
|
applications/oopse \ |
61 |
|
applications/dump2Xyz \ |
62 |
|
applications/staticProps \ |
63 |
|
applications/dynamicProps \ |
64 |
< |
applications/simpleBuilder\ |
64 |
> |
applications/simpleBuilder \ |
65 |
|
applications/nanoRodBuilder \ |
66 |
< |
applications/mdinConverter |
66 |
> |
applications/nanoparticleBuilder \ |
67 |
> |
applications/atom2mdin \ |
68 |
> |
applications/hydrodynamics |
69 |
|
|
70 |
+ |
|
71 |
|
Samples = \ |
72 |
+ |
samples/alkane \ |
73 |
|
samples/argon \ |
74 |
+ |
samples/cutoff \ |
75 |
+ |
samples/dipole \ |
76 |
+ |
samples/gbljtest \ |
77 |
+ |
samples/lipid \ |
78 |
+ |
samples/metals/EAM \ |
79 |
+ |
samples/metals/EAM/nanoparticle \ |
80 |
+ |
samples/metals/EAM/nanorod \ |
81 |
+ |
samples/metals/Sutton-Chen \ |
82 |
+ |
samples/minimizer \ |
83 |
+ |
samples/shape \ |
84 |
+ |
samples/thermoIntegration/liquid \ |
85 |
+ |
samples/thermoIntegration/solid \ |
86 |
|
samples/water/dimer \ |
87 |
|
samples/water/spce \ |
88 |
|
samples/water/ssd \ |
91 |
|
samples/water/ssd-ion \ |
92 |
|
samples/water/tip3p_ice \ |
93 |
|
samples/water/tip4p \ |
94 |
< |
samples/lipid \ |
78 |
< |
samples/alkane \ |
79 |
< |
samples/minimizer \ |
80 |
< |
samples/metals \ |
81 |
< |
samples/thermoIntegration/liquid \ |
82 |
< |
samples/thermoIntegration/solid \ |
83 |
< |
samples/dipole \ |
84 |
< |
samples/shape \ |
85 |
< |
samples/zcons \ |
94 |
> |
samples/zcons |
95 |
|
|
96 |
|
IncludeDirs = \ |
97 |
|
@CGAL_INC_DIR@ \ |
119 |
|
ModuleCase = @F90_MODULE_NAMES@ |
120 |
|
ModSuffix = @MOD@ |
121 |
|
LinkOptions = \ |
122 |
< |
@F90LIBS@ |
122 |
> |
@FCLIBS@ \ |
123 |
> |
@CXXFLAGS@ |
124 |
|
|
125 |
|
ParallelLinkOptions = \ |
126 |
< |
@F90LIBS@ |
126 |
> |
@FCLIBS@ \ |
127 |
> |
@CXXFLAGS@ |
128 |
|
|
129 |
|
|
130 |
|
#--------------------------------------------------------------------------- |
346 |
|
CppCompiler = @CXX@ |
347 |
|
Linker = @CXX@ |
348 |
|
MakeDepend = makedepend |
349 |
+ |
LN_S = @LN_S@ |
350 |
|
INSTALL = @INSTALL@ |
351 |
+ |
EGREP = @EGREP@ |
352 |
|
InstallProgram = @INSTALL_PROGRAM@ |
353 |
|
InstallScript = @INSTALL_SCRIPT@ |
354 |
|
InstallData = @INSTALL_DATA@ |
357 |
|
StaticArchiver = @AR@ |
358 |
|
DynamicArchiver = @CC@ |
359 |
|
FortranCompiler = @FC@ |
347 |
– |
F90Compiler = @F90@ |
360 |
|
JavaCompiler = $(JAVA_HOME)/bin/javac |
361 |
|
JavaArchiver = $(JAVA_HOME)/bin/jar |
362 |
|
JarSigner = $(JAVA_HOME)/bin/jarsigner |
382 |
|
-sourcepath $(SourceDir) |
383 |
|
COptions = $(FrcDeclare) @CFLAGS@ |
384 |
|
CParallelOptions = $(FrcDeclare) $(ParallelDeclare) @CFLAGS@ |
385 |
< |
CppOptions = $(FrcDeclare) @CXXFLAGS@ @OOPSE_TEMPLATE_FLAGS@ |
386 |
< |
CppParallelOptions = $(FrcDeclare) $(ParallelDeclare) @CXXFLAGS@ @OOPSE_TEMPLATE_FLAGS@ |
387 |
< |
FortranOptions = |
388 |
< |
F90Options = @PREPFLAG@ @F90FLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(TargetDir) |
377 |
< |
F90ParallelOptions = @PREPFLAG@ @F90FLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(ParallelTargetDir) @PREPDEFFLAG@$(ParallelDeclare) |
385 |
> |
CppOptions = $(FrcDeclare) @CXXFLAGS@ |
386 |
> |
CppParallelOptions = $(FrcDeclare) $(ParallelDeclare) @CXXFLAGS@ |
387 |
> |
FortranOptions = @FCFLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(TargetDir) @FCFLAGS_SRCEXT@ |
388 |
> |
FortranParallelOptions = @FCFLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(ParallelTargetDir) @PREPDEFFLAG@$(ParallelDeclar) @FCFLAGS_SRCEXT@ |
389 |
|
JavaCompilerOptions = -d $(TargetDir) -classpath $(ClassPath) \ |
390 |
|
-sourcepath $(SourceDir) -deprecation |
391 |
|
JavaRunOptions = -classpath $(ClassPath) |
430 |
|
InstallFiles = $(Executable) |
431 |
|
endif |
432 |
|
InstallCommand = $(InstallProgram) |
433 |
+ |
ifneq "$(words $(LinkTargets))" "0" |
434 |
+ |
MyLinkSource = $(patsubst %, $(MyInstallDir)/%,$(Main)) |
435 |
+ |
MyLinkTargets = $(patsubst %, $(MyInstallDir)/%,$(LinkTargets)) |
436 |
+ |
endif |
437 |
|
endif |
438 |
|
|
439 |
|
ifneq "$(words $(ForcefieldFiles))" "0" |
521 |
|
|
522 |
|
# .F90 -> .o |
523 |
|
$(PackageTargetDir)/%.o : %.F90 $(MainMakefile) |
524 |
< |
$(F90Compiler) $(F90Options) $(IncludePath) -c $< -o $@ |
524 |
> |
$(FortranCompiler) $(FortranOptions) $(IncludePath) -c $< -o $@ |
525 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
526 |
|
$(Move) `ls *.$(ModSuffix)` $(PackageTargetDir);\ |
527 |
|
fi |
528 |
|
|
529 |
|
$(PackageParallelTargetDir)/%.o : %.F90 $(MainMakefile) |
530 |
< |
$(F90Compiler) $(F90ParallelOptions) $(IncludePath) -c $< -o $@ |
530 |
> |
$(FortranCompiler) $(FortranParallelOptions) $(IncludePath) -c $< -o $@ |
531 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
532 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageParallelTargetDir);\ |
533 |
|
fi |
652 |
|
$(Doxygen) $(DEV_ROOT)/make/Doxyfile |
653 |
|
|
654 |
|
#GUN make funtions to merge the libraries |
655 |
< |
find_objs = $(shell $(StaticArchiver) -t $(1)) |
655 |
> |
find_objs = $(shell $(StaticArchiver) -t $(1) | $(EGREP) -v "SYMDEF") |
656 |
|
extract_objs = $(shell $(StaticArchiver) -x $(1) $(call find_objs, $(1))) |
657 |
|
create_archive = $(shell $(StaticArchiver) $(StaticArchiverOptions) $(2) $(call find_objs, $(1))) |
658 |
|
remove_objs = $(shell $(Delete) $(call find_objs, $(1))) |
659 |
|
do_create = $(call extract_objs,$(1))$(call create_archive,$(1),$(2))$(call remove_objs,$(1)) |
660 |
+ |
do_link = $(shell $(LN_S) $(1) $(2)) |
661 |
+ |
all_objs = $(foreach thisLib,$(LibNames), $(call find_objs, $(thisLib))) |
662 |
+ |
all_parallel_objs = $(foreach thisLib,$(ParallelLibNames), $(call find_objs, $(thisLib))) |
663 |
+ |
all_lib_objs = $(patsubst %,$(TargetDir)/%,$(call all_objs)) |
664 |
+ |
all_lib_parallel_objs = $(patsubst %,$(ParallelTargetDir)/%,$(call all_parallel_objs)) |
665 |
|
|
666 |
|
$(CombinedStaticLib) : $(LibDir)/.stamp_UP |
667 |
< |
$(Print) create $@ |
668 |
< |
$(foreach thisLib,$(LibNames),$(call do_create,$(thisLib),$@)) |
667 |
> |
$(Print) creating $@ |
668 |
> |
$(StaticArchiver) $(StaticArchiverOptions) $@ $(call all_lib_objs) |
669 |
|
$(Ranlib) $(CombinedStaticLib) |
670 |
|
|
671 |
|
$(CombinedParallelStaticLib) : $(LibDir)/.stamp_MPI |
672 |
< |
$(Print) create $@ |
673 |
< |
$(foreach thisLib,$(ParallelLibNames), $(call do_create, $(thisLib), $@)) |
672 |
> |
$(Print) creating $@ |
673 |
> |
$(StaticArchiver) $(StaticArchiverOptions) $@ $(call all_lib_parallel_objs) |
674 |
|
$(Ranlib) $(CombinedParallelStaticLib) |
675 |
|
|
676 |
|
# Executable |
677 |
< |
$(Executable) : $(CombinedStaticLib) $(ObjectFiles) $(BinDir) |
677 |
> |
$(Executable) : $(CombinedStaticLib) $(ObjectFiles) |
678 |
> |
if test ! -d $(BinDir); then \ |
679 |
> |
$(MkDir) $(BinDir) ;\ |
680 |
> |
fi |
681 |
|
$(Linker) $(ObjectFiles) $(CombinedStaticLib) $(LinkOptions) $(LibDirs) $(Libraries) -o $@ |
682 |
|
|
683 |
< |
$(ParallelExecutable) : $(CombinedParallelStaticLib) $(ParallelObjectFiles) $(BinDir) |
683 |
> |
$(ParallelExecutable) : $(CombinedParallelStaticLib) $(ParallelObjectFiles) |
684 |
> |
if test ! -d $(BinDir); then \ |
685 |
> |
$(MkDir) $(BinDir) ;\ |
686 |
> |
fi |
687 |
|
$(Linker) $(ParallelObjectFiles) $(CombinedParallelStaticLib) $(ParallelLinkOptions) $(LibDirs) $(Libraries) -o $@ |
688 |
|
|
689 |
|
# Anything else is just copied from source to target |
827 |
|
install : $(InstallListLoop) |
828 |
|
$(Print) Done Install |
829 |
|
|
830 |
< |
_installall : _buildall _installdata |
830 |
> |
_installall : _buildall _installdata _installlinks |
831 |
|
|
832 |
|
$(MyInstallDir) : |
833 |
|
$(MkDir) $@ |
838 |
|
$(InstallCommand) $(InstallFiles) $(MyInstallDir) |
839 |
|
endif |
840 |
|
|
841 |
+ |
_installlinks : $(MyInstallDir) |
842 |
+ |
ifneq "$(words $(MyLinkTargets))" "0" |
843 |
+ |
@cd $(MyInstallDir) |
844 |
+ |
$(foreach thisLink,$(MyLinkTargets),$(call do_link,$(MyLinkSource),$(thisLink))) |
845 |
+ |
endif |
846 |
+ |
|
847 |
|
# make statistics |
848 |
|
_statisticsall : |
849 |
|
@$(Print) $(patsubst %,$(CurrentDir)/%,$(SourceFiles)) >> $(DEV_ROOT)/files.tmp |