| 52 |
|
selection \ |
| 53 |
|
restraints \ |
| 54 |
|
lattice \ |
| 55 |
+ |
hydrodynamics \ |
| 56 |
|
openbabel\ |
| 57 |
|
antlr\ |
| 58 |
|
mdParser |
| 62 |
|
applications/dump2Xyz \ |
| 63 |
|
applications/staticProps \ |
| 64 |
|
applications/dynamicProps \ |
| 65 |
< |
applications/simpleBuilder\ |
| 65 |
> |
applications/simpleBuilder \ |
| 66 |
> |
applications/randomBuilder \ |
| 67 |
|
applications/nanoRodBuilder \ |
| 68 |
< |
applications/atom2mdin |
| 68 |
> |
applications/nanoparticleBuilder \ |
| 69 |
> |
applications/atom2mdin \ |
| 70 |
> |
applications/hydrodynamics |
| 71 |
|
|
| 72 |
+ |
|
| 73 |
|
Samples = \ |
| 74 |
+ |
samples/alkane \ |
| 75 |
|
samples/argon \ |
| 76 |
+ |
samples/cutoff \ |
| 77 |
+ |
samples/dipole \ |
| 78 |
+ |
samples/gbljtest \ |
| 79 |
+ |
samples/lipid \ |
| 80 |
+ |
samples/metals/EAM \ |
| 81 |
+ |
samples/metals/EAM/nanoparticle \ |
| 82 |
+ |
samples/metals/EAM/nanorod \ |
| 83 |
+ |
samples/metals/Sutton-Chen \ |
| 84 |
+ |
samples/minimizer \ |
| 85 |
+ |
samples/shape \ |
| 86 |
+ |
samples/thermoIntegration/liquid \ |
| 87 |
+ |
samples/thermoIntegration/solid \ |
| 88 |
|
samples/water/dimer \ |
| 89 |
|
samples/water/spce \ |
| 90 |
|
samples/water/ssd \ |
| 93 |
|
samples/water/ssd-ion \ |
| 94 |
|
samples/water/tip3p_ice \ |
| 95 |
|
samples/water/tip4p \ |
| 96 |
< |
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 \ |
| 96 |
> |
samples/zcons |
| 97 |
|
|
| 98 |
|
IncludeDirs = \ |
| 99 |
+ |
@FFTW_INC_DIR@ \ |
| 100 |
|
@CGAL_INC_DIR@ \ |
| 101 |
|
@MPI_INC_DIR@ |
| 102 |
|
|
| 103 |
|
LibraryDirs = \ |
| 104 |
+ |
@FFTW_LIB_DIR@ \ |
| 105 |
|
@CGAL_LIB_DIR@ \ |
| 106 |
|
@MPI_LIB_DIR@ |
| 107 |
|
|
| 108 |
|
Libraries = \ |
| 109 |
|
@LIBS@ \ |
| 110 |
+ |
@FFTW_LIBS@ \ |
| 111 |
|
@CGAL_LIBS@ \ |
| 112 |
|
@MPI_LIB@ \ |
| 113 |
|
@MPI_F90_LIB@ |
| 124 |
|
ModuleCase = @F90_MODULE_NAMES@ |
| 125 |
|
ModSuffix = @MOD@ |
| 126 |
|
LinkOptions = \ |
| 127 |
< |
@F90LIBS@ |
| 127 |
> |
@LDFLAGS@ \ |
| 128 |
> |
@FCLIBS@ \ |
| 129 |
> |
@CXXFLAGS@ |
| 130 |
> |
|
| 131 |
|
|
| 132 |
|
ParallelLinkOptions = \ |
| 133 |
< |
@F90LIBS@ |
| 133 |
> |
@LDFLAGS@ \ |
| 134 |
> |
@FCLIBS@ \ |
| 135 |
> |
@CXXFLAGS@ |
| 136 |
|
|
| 137 |
|
|
| 138 |
|
#--------------------------------------------------------------------------- |
| 365 |
|
StaticArchiver = @AR@ |
| 366 |
|
DynamicArchiver = @CC@ |
| 367 |
|
FortranCompiler = @FC@ |
| 354 |
– |
F90Compiler = @F90@ |
| 368 |
|
JavaCompiler = $(JAVA_HOME)/bin/javac |
| 369 |
|
JavaArchiver = $(JAVA_HOME)/bin/jar |
| 370 |
|
JarSigner = $(JAVA_HOME)/bin/jarsigner |
| 388 |
|
JniOptions = |
| 389 |
|
RmiOptions = -d $(TargetDir) -classpath $(ClassPath) \ |
| 390 |
|
-sourcepath $(SourceDir) |
| 391 |
< |
COptions = $(FrcDeclare) @CFLAGS@ |
| 392 |
< |
CParallelOptions = $(FrcDeclare) $(ParallelDeclare) @CFLAGS@ |
| 393 |
< |
CppOptions = $(FrcDeclare) @CXXFLAGS@ @OOPSE_TEMPLATE_FLAGS@ |
| 394 |
< |
CppParallelOptions = $(FrcDeclare) $(ParallelDeclare) @CXXFLAGS@ @OOPSE_TEMPLATE_FLAGS@ |
| 395 |
< |
FortranOptions = |
| 396 |
< |
F90Options = @PREPFLAG@ @F90FLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(TargetDir) |
| 384 |
< |
F90ParallelOptions = @PREPFLAG@ @F90FLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(ParallelTargetDir) @PREPDEFFLAG@$(ParallelDeclare) |
| 391 |
> |
COptions = $(FrcDeclare) @CPPFLAGS@ @CFLAGS@ |
| 392 |
> |
CParallelOptions = $(FrcDeclare) $(ParallelDeclare) @CPPFLAGS@ @CFLAGS@ |
| 393 |
> |
CppOptions = $(FrcDeclare) @CPPFLAGS@ @CXXFLAGS@ |
| 394 |
> |
CppParallelOptions = $(FrcDeclare) $(ParallelDeclare) @CPPFLAGS@ @CXXFLAGS@ |
| 395 |
> |
FortranOptions = @FCFLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(TargetDir) @FCFLAGS_SRCEXT@ |
| 396 |
> |
FortranParallelOptions = @FCFLAGS@ @MODDIRFLAG@$(SourceDir) @MODDIRFLAG@$(ParallelTargetDir) @PREPDEFFLAG@$(ParallelDeclare) @FCFLAGS_SRCEXT@ |
| 397 |
|
JavaCompilerOptions = -d $(TargetDir) -classpath $(ClassPath) \ |
| 398 |
|
-sourcepath $(SourceDir) -deprecation |
| 399 |
|
JavaRunOptions = -classpath $(ClassPath) |
| 529 |
|
|
| 530 |
|
# .F90 -> .o |
| 531 |
|
$(PackageTargetDir)/%.o : %.F90 $(MainMakefile) |
| 532 |
< |
$(F90Compiler) $(F90Options) $(IncludePath) -c $< -o $@ |
| 532 |
> |
$(FortranCompiler) $(FortranOptions) $(IncludePath) -c $< -o $@ |
| 533 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
| 534 |
|
$(Move) `ls *.$(ModSuffix)` $(PackageTargetDir);\ |
| 535 |
|
fi |
| 536 |
|
|
| 537 |
|
$(PackageParallelTargetDir)/%.o : %.F90 $(MainMakefile) |
| 538 |
< |
$(F90Compiler) $(F90ParallelOptions) $(IncludePath) -c $< -o $@ |
| 538 |
> |
$(FortranCompiler) $(FortranParallelOptions) $(IncludePath) -c $< -o $@ |
| 539 |
|
if test -n "`ls *.$(ModSuffix)`"; then \ |
| 540 |
|
$(Move) "`ls *.$(ModSuffix)`" $(PackageParallelTargetDir);\ |
| 541 |
|
fi |
| 682 |
|
$(Ranlib) $(CombinedParallelStaticLib) |
| 683 |
|
|
| 684 |
|
# Executable |
| 685 |
< |
$(Executable) : $(CombinedStaticLib) $(ObjectFiles) $(BinDir) |
| 685 |
> |
$(Executable) : $(CombinedStaticLib) $(ObjectFiles) |
| 686 |
> |
if test ! -d $(BinDir); then \ |
| 687 |
> |
$(MkDir) $(BinDir) ;\ |
| 688 |
> |
fi |
| 689 |
|
$(Linker) $(ObjectFiles) $(CombinedStaticLib) $(LinkOptions) $(LibDirs) $(Libraries) -o $@ |
| 690 |
|
|
| 691 |
< |
$(ParallelExecutable) : $(CombinedParallelStaticLib) $(ParallelObjectFiles) $(BinDir) |
| 691 |
> |
$(ParallelExecutable) : $(CombinedParallelStaticLib) $(ParallelObjectFiles) |
| 692 |
> |
if test ! -d $(BinDir); then \ |
| 693 |
> |
$(MkDir) $(BinDir) ;\ |
| 694 |
> |
fi |
| 695 |
|
$(Linker) $(ParallelObjectFiles) $(CombinedParallelStaticLib) $(ParallelLinkOptions) $(LibDirs) $(Libraries) -o $@ |
| 696 |
|
|
| 697 |
|
# Anything else is just copied from source to target |
