diff --git a/lib/atc/Makefile.g++ b/lib/atc/Makefile.g++ index d15e6cb3b8..bb3028392a 100644 --- a/lib/atc/Makefile.g++ +++ b/lib/atc/Makefile.g++ @@ -1,3 +1,4 @@ +# library build -*- makefile -*- SHELL = /bin/sh # which file will be copied to Makefile.lammps @@ -5,6 +6,7 @@ SHELL = /bin/sh EXTRAMAKE = Makefile.lammps.installed # ------ FILES ------ + SRC = $(wildcard *.cpp) INC = $(wildcard *.h) @@ -47,5 +49,9 @@ DEPENDS = $(OBJ:.o=.d) # ------ CLEAN ------ +.PHONY: clean lib + clean: -rm *.o *.d *~ $(LIB) + +sinclude $(DEPENDS) diff --git a/lib/atc/Makefile.lammps b/lib/atc/Makefile.lammps deleted file mode 100644 index c8cd66af26..0000000000 --- a/lib/atc/Makefile.lammps +++ /dev/null @@ -1,5 +0,0 @@ -# Settings that the LAMMPS build will import when this package library is used - -user-atc_SYSINC = -user-atc_SYSLIB = -lblas -llapack -user-atc_SYSPATH = diff --git a/lib/atc/Makefile.mingw32-cross b/lib/atc/Makefile.mingw32-cross deleted file mode 100644 index 8b33540981..0000000000 --- a/lib/atc/Makefile.mingw32-cross +++ /dev/null @@ -1,67 +0,0 @@ -# library build -*- makefile -*- -SHELL = /bin/sh - -# which file will be copied to Makefile.lammps -EXTRAMAKE = Makefile.lammps.linalg - -# ------ FILES ------ - -SRC = $(wildcard *.cpp) -INC = $(wildcard *.h) - -# ------ DEFINITIONS ------ - -DIR = Obj_mingw32/ -LIB = $(DIR)libatc.a -OBJ = $(SRC:%.cpp=$(DIR)%.o) - -# ------ SETTINGS ------ - -# include any MPI settings needed for the ATC library to build with -# the same MPI library that LAMMPS is built with - -CC = i686-w64-mingw32-g++ -CCFLAGS = -I../../src -I../../src/STUBS -DMPICH_IGNORE_CXX_SEEK \ - -O3 -march=i686 -mtune=generic -mfpmath=387 -mpc64 \ - -ffast-math -funroll-loops -fstrict-aliasing \ - -DLAMMPS_SMALLSMALL -Wno-uninitialized -ARCHIVE = i686-w64-mingw32-ar -ARCHFLAG = -rcs -DEPFLAGS = -M -LINK = $(CC) -LINKFLAGS = -O -USRLIB = -SYSLIB = - -# ------ MAKE PROCEDURE ------ - -default: $(DIR) $(LIB) Makefile.lammps - -$(DIR): - mkdir $(DIR) - -Makefile.lammps: - @cp $(EXTRAMAKE) Makefile.lammps - -$(LIB): $(OBJ) - $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ) - @cp $(EXTRAMAKE) Makefile.lammps - -# ------ COMPILE RULES ------ - -$(DIR)%.o:%.cpp - $(CC) $(CCFLAGS) -c $< -o $@ -$(DIR)%.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ - -# ------ DEPENDENCIES ------ - -DEPENDS = $(OBJ:.o=.d) - -# ------ CLEAN ------ - -clean: - -rm $(DIR)*.o $(DIR)*.d *~ $(LIB) - -$(DEPENDS) : $(DIR) -sinclude $(DEPENDS) diff --git a/lib/atc/Makefile.mingw32-cross-mpi b/lib/atc/Makefile.mingw32-cross-mpi deleted file mode 100644 index c5feeca81a..0000000000 --- a/lib/atc/Makefile.mingw32-cross-mpi +++ /dev/null @@ -1,68 +0,0 @@ -# library build -*- makefile -*- -SHELL = /bin/sh - -# which file will be copied to Makefile.lammps -EXTRAMAKE = Makefile.lammps.linalg - -# ------ FILES ------ - -SRC = $(wildcard *.cpp) -INC = $(wildcard *.h) - -# ------ DEFINITIONS ------ - -DIR = Obj_mingw32-mpi/ -LIB = $(DIR)libatc.a -OBJ = $(SRC:%.cpp=$(DIR)%.o) - -# ------ SETTINGS ------ - -# include any MPI settings needed for the ATC library to build with -# the same MPI library that LAMMPS is built with - -CC = i686-w64-mingw32-g++ -CCFLAGS = -I../../tools/mingw-cross/mpich2-win32/include/ \ - -I../../src -DMPICH_IGNORE_CXX_SEEK \ - -O3 -march=i686 -mtune=generic -mfpmath=387 -mpc64 \ - -ffast-math -funroll-loops -fstrict-aliasing \ - -DLAMMPS_SMALLSMALL -Wno-uninitialized -ARCHIVE = i686-w64-mingw32-ar -ARCHFLAG = -rcs -DEPFLAGS = -M -LINK = $(CC) -LINKFLAGS = -O -USRLIB = -SYSLIB = - -# ------ MAKE PROCEDURE ------ - -default: $(DIR) $(LIB) Makefile.lammps - -$(DIR): - mkdir $(DIR) - -Makefile.lammps: - @cp $(EXTRAMAKE) Makefile.lammps - -$(LIB): $(OBJ) - $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ) - @cp $(EXTRAMAKE) Makefile.lammps - -# ------ COMPILE RULES ------ - -$(DIR)%.o:%.cpp - $(CC) $(CCFLAGS) -c $< -o $@ -$(DIR)%.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ - -# ------ DEPENDENCIES ------ - -DEPENDS = $(OBJ:.o=.d) - -# ------ CLEAN ------ - -clean: - -rm $(DIR)*.o $(DIR)*.d *~ $(LIB) - -$(DEPENDS) : $(DIR) -sinclude $(DEPENDS) diff --git a/lib/atc/Makefile.mingw64-cross b/lib/atc/Makefile.mingw64-cross deleted file mode 100644 index fbd3a02610..0000000000 --- a/lib/atc/Makefile.mingw64-cross +++ /dev/null @@ -1,67 +0,0 @@ -# library build -*- makefile -*- -SHELL = /bin/sh - -# which file will be copied to Makefile.lammps -EXTRAMAKE = Makefile.lammps.linalg - -# ------ FILES ------ - -SRC = $(wildcard *.cpp) -INC = $(wildcard *.h) - -# ------ DEFINITIONS ------ - -DIR = Obj_mingw64/ -LIB = $(DIR)libatc.a -OBJ = $(SRC:%.cpp=$(DIR)%.o) - -# ------ SETTINGS ------ - -# include any MPI settings needed for the ATC library to build with -# the same MPI library that LAMMPS is built with - -CC = x86_64-w64-mingw32-g++ -CCFLAGS = -I../../src -I../../src/STUBS -DMPICH_IGNORE_CXX_SEEK \ - -O3 -march=core2 -mtune=core2 -mpc64 -msse2 \ - -ffast-math -funroll-loops -fstrict-aliasing \ - -DLAMMPS_SMALLBIG -Wno-uninitialized -ARCHIVE = x86_64-w64-mingw32-ar -ARCHFLAG = -rcs -DEPFLAGS = -M -LINK = $(CC) -LINKFLAGS = -O -USRLIB = -SYSLIB = - -# ------ MAKE PROCEDURE ------ - -default: $(DIR) $(LIB) Makefile.lammps - -$(DIR): - mkdir $(DIR) - -Makefile.lammps: - @cp $(EXTRAMAKE) Makefile.lammps - -$(LIB): $(OBJ) - $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ) - @cp $(EXTRAMAKE) Makefile.lammps - -# ------ COMPILE RULES ------ - -$(DIR)%.o:%.cpp - $(CC) $(CCFLAGS) -c $< -o $@ -$(DIR)%.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ - -# ------ DEPENDENCIES ------ - -DEPENDS = $(OBJ:.o=.d) - -# ------ CLEAN ------ - -clean: - -rm $(DIR)*.o $(DIR)*.d *~ $(LIB) - -$(DEPENDS) : $(DIR) -sinclude $(DEPENDS) diff --git a/lib/atc/Makefile.mingw64-cross-mpi b/lib/atc/Makefile.mingw64-cross-mpi deleted file mode 100644 index f8dd64eae3..0000000000 --- a/lib/atc/Makefile.mingw64-cross-mpi +++ /dev/null @@ -1,68 +0,0 @@ -# library build -*- makefile -*- -SHELL = /bin/sh - -# which file will be copied to Makefile.lammps -EXTRAMAKE = Makefile.lammps.linalg - -# ------ FILES ------ - -SRC = $(wildcard *.cpp) -INC = $(wildcard *.h) - -# ------ DEFINITIONS ------ - -DIR = Obj_mingw64-mpi/ -LIB = $(DIR)libatc.a -OBJ = $(SRC:%.cpp=$(DIR)%.o) - -# ------ SETTINGS ------ - -# include any MPI settings needed for the ATC library to build with -# the same MPI library that LAMMPS is built with - -CC = x86_64-w64-mingw32-g++ -CCFLAGS = -I../../tools/mingw-cross/mpich2-win64/include/ \ - -I../../src -DMPICH_IGNORE_CXX_SEEK \ - -O3 -march=core2 -mtune=core2 -mpc64 -msse2 \ - -ffast-math -funroll-loops -fstrict-aliasing \ - -DLAMMPS_SMALLBIG -Wno-uninitialized -ARCHIVE = x86_64-w64-mingw32-ar -ARCHFLAG = -rcs -DEPFLAGS = -M -LINK = $(CC) -LINKFLAGS = -O -USRLIB = -SYSLIB = - -# ------ MAKE PROCEDURE ------ - -default: $(DIR) $(LIB) Makefile.lammps - -$(DIR): - mkdir $(DIR) - -Makefile.lammps: - @cp $(EXTRAMAKE) Makefile.lammps - -$(LIB): $(OBJ) - $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ) - @cp $(EXTRAMAKE) Makefile.lammps - -# ------ COMPILE RULES ------ - -$(DIR)%.o:%.cpp - $(CC) $(CCFLAGS) -c $< -o $@ -$(DIR)%.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ - -# ------ DEPENDENCIES ------ - -DEPENDS = $(OBJ:.o=.d) - -# ------ CLEAN ------ - -clean: - -rm $(DIR)*.o $(DIR)*.d *~ $(LIB) - -$(DEPENDS) : $(DIR) -sinclude $(DEPENDS) diff --git a/lib/atc/Makefile.mpic++ b/lib/atc/Makefile.mpi similarity index 59% rename from lib/atc/Makefile.mpic++ rename to lib/atc/Makefile.mpi index c9dfdb79c9..ec941efdcb 100644 --- a/lib/atc/Makefile.mpic++ +++ b/lib/atc/Makefile.mpi @@ -2,38 +2,54 @@ SHELL = /bin/sh # which file will be copied to Makefile.lammps -EXTRAMAKE = Makefile.lammps.installed +EXTRAMAKE = Makefile.lammps.linalg + # ------ FILES ------ + SRC = $(wildcard *.cpp) INC = $(wildcard *.h) + # ------ DEFINITIONS ------ + LIB = libatc.a OBJ = $(SRC:.cpp=.o) + +default: lib + # ------ SETTINGS ------ +.PHONY: clean lib depend + # include any MPI settings needed for the ATC library to build with # must be the same MPI library that LAMMPS is built with -CC = mpic++ -CCFLAGS = -O3 -Wall -g -I../../src -fPIC -DMPICH_IGNORE_CXX_SEEK -DOMPI_SKIP_MPICXX=1 +CC = mpicxx +CCFLAGS = -O3 -Wall -g -fPIC +CPPFLAGS = -I../../src -DMPICH_IGNORE_CXX_SEEK -DOMPI_SKIP_MPICXX=1 ARCHIVE = ar ARCHFLAG = -rc -DEPFLAGS = -M -LINK = $(CC) -LINKFLAGS = -O # ------ MAKE PROCEDURE ------ + lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ) @cp $(EXTRAMAKE) Makefile.lammps + # ------ COMPILE RULES ------ + %.o:%.cpp - $(CC) $(CCFLAGS) -c $< -%.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CPPFLAGS) $(CCFLAGS) -c $< + # ------ DEPENDENCIES ------ -DEPENDS = $(OBJ:.o=.d) + +depend .depend : fastdep.exe $(SRC) + @./fastdep.exe $(INCFLAGS) -- $^ > .depend || exit 1 + +fastdep.exe: ../../src/DEPEND/fastdep.c + @cc -O -o $@ $< + # ------ CLEAN ------ + clean: - -rm *.o *.d *~ $(LIB) + -rm -f *.o *~ .depend $(LIB) fastdep.exe sinclude $(DEPENDS) diff --git a/lib/atc/Makefile.serial b/lib/atc/Makefile.serial index 44ce5fd341..70b786a6b8 100644 --- a/lib/atc/Makefile.serial +++ b/lib/atc/Makefile.serial @@ -14,18 +14,20 @@ INC = $(wildcard *.h) LIB = libatc.a OBJ = $(SRC:.cpp=.o) +default: lib + # ------ SETTINGS ------ +.PHONY: clean lib depend + # include any MPI settings needed for the ATC library to build with # must be the same MPI library that LAMMPS is built with CC = g++ -CCFLAGS = -O -g -fPIC -I../../src -I../../src/STUBS +CCFLAGS = -O3 -g -fPIC +CPPFLAGS = -I../../src -I../../src/STUBS ARCHIVE = ar ARCHFLAG = -rc -DEPFLAGS = -M -LINK = $(CC) -LINKFLAGS = -O # ------ MAKE PROCEDURE ------ lib: $(OBJ) @@ -35,17 +37,19 @@ lib: $(OBJ) # ------ COMPILE RULES ------ %.o:%.cpp - $(CC) $(CCFLAGS) -c $< -%.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ + $(CC) $(CPPFLAGS) $(CCFLAGS) -c $< # ------ DEPENDENCIES ------ -DEPENDS = $(OBJ:.o=.d) +depend .depend : fastdep.exe $(SRC) + @./fastdep.exe $(INCFLAGS) -- $^ > .depend || exit 1 + +fastdep.exe: ../../src/DEPEND/fastdep.c + @cc -O -o $@ $< # ------ CLEAN ------ clean: - -rm *.o *.d *~ $(LIB) + -rm -f *.o *~ .depend $(LIB) fastdep.exe -sinclude $(DEPENDS) +sinclude .depend diff --git a/lib/awpmd/Makefile.mingw32-cross b/lib/awpmd/Makefile.mingw32-cross deleted file mode 100644 index 6a93987173..0000000000 --- a/lib/awpmd/Makefile.mingw32-cross +++ /dev/null @@ -1,80 +0,0 @@ -# library build -*- makefile -*- -SHELL = /bin/sh - -# which file will be copied to Makefile.lammps - -EXTRAMAKE = Makefile.lammps.linalg - -# ------ FILES ------ - -SRC = logexc.cpp wpmd.cpp wpmd_split.cpp -vpath %.cpp ivutils/src -vpath %.cpp systems/interact/TCP - -INC = \ - cerf.h \ - cerf2.h \ - cerf_octave.h \ - cvector_3.h \ - lapack_inter.h \ - logexc.h \ - pairhash.h \ - refobj.h \ - tcpdefs.h \ - vector_3.h \ - wavepacket.h \ - wpmd.h \ - wpmd_split.h - -# ------ DEFINITIONS ------ -DIR = Obj_mingw32/ -LIB = $(DIR)libawpmd.a -OBJ = $(SRC:%.cpp=$(DIR)%.o) - -# ------ SETTINGS ------ - -# include any MPI settings needed for the ATC library to build with -# the same MPI library that LAMMPS is built with - -CC = i686-w64-mingw32-g++ -CCFLAGS = -O2 -march=i686 -mtune=generic -mfpmath=387 -mpc64 \ - -finline-functions \ - -ffast-math -funroll-loops -fstrict-aliasing \ - -Wall -W -Wno-uninitialized -Isystems/interact/TCP/ -Isystems/interact -Iivutils/include -ARCHIVE = i686-w64-mingw32-ar -ARCHFLAG = -rscv -DEPFLAGS = -M -#LINK = -#LINKFLAGS = -USRLIB = -SYSLIB = - -# ------ MAKE PROCEDURE ------ - -default: $(DIR) $(LIB) Makefile.lammps - -$(DIR): - mkdir $(DIR) - -Makefile.lammps: - @cp $(EXTRAMAKE) Makefile.lammps - -$(LIB): $(OBJ) - $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ) - @cp $(EXTRAMAKE) Makefile.lammps - -# ------ COMPILE RULES ------ - -$(DIR)%.o:%.cpp - $(CC) $(CCFLAGS) -c $< -o $@ -$(DIR)%.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ - -# ------ DEPENDENCIES ------ - -DEPENDS = $(OBJ:.o=.d) - -# ------ CLEAN ------ - -clean: - -rm *.d *~ $(OBJ) $(LIB) diff --git a/lib/awpmd/Makefile.mingw32-cross-mpi b/lib/awpmd/Makefile.mingw32-cross-mpi deleted file mode 100644 index cc2a76111a..0000000000 --- a/lib/awpmd/Makefile.mingw32-cross-mpi +++ /dev/null @@ -1,13 +0,0 @@ -# -*- makefile -*- wrapper for non-MPI libraries - -SHELL=/bin/sh - -all: - $(MAKE) $(MFLAGS) mingw32-cross - rm -f Obj_mingw32-mpi - ln -s Obj_mingw32 Obj_mingw32-mpi - -clean: - $(MAKE) $(MFLAGS) clean-mingw32-cross - rm -f Obj_mingw32-mpi - diff --git a/lib/awpmd/Makefile.mingw64-cross b/lib/awpmd/Makefile.mingw64-cross deleted file mode 100644 index 1f3e608129..0000000000 --- a/lib/awpmd/Makefile.mingw64-cross +++ /dev/null @@ -1,79 +0,0 @@ -# library build -*- makefile -*- -SHELL = /bin/sh - -# which file will be copied to Makefile.lammps - -EXTRAMAKE = Makefile.lammps.linalg - -# ------ FILES ------ - -SRC = logexc.cpp wpmd.cpp wpmd_split.cpp -vpath %.cpp ivutils/src -vpath %.cpp systems/interact/TCP - -INC = \ - cerf.h \ - cerf2.h \ - cerf_octave.h \ - cvector_3.h \ - lapack_inter.h \ - logexc.h \ - pairhash.h \ - refobj.h \ - tcpdefs.h \ - vector_3.h \ - wavepacket.h \ - wpmd.h \ - wpmd_split.h - -# ------ DEFINITIONS ------ -DIR = Obj_mingw64/ -LIB = $(DIR)libawpmd.a -OBJ = $(SRC:%.cpp=$(DIR)%.o) - -# ------ SETTINGS ------ - -# include any MPI settings needed for the ATC library to build with -# the same MPI library that LAMMPS is built with - -CC = x86_64-w64-mingw32-g++ -CCFLAGS = -O3 -march=core2 -mtune=core2 -mpc64 -msse2 \ - -ffast-math -funroll-loops -fstrict-aliasing \ - -Wall -W -Wno-uninitialized -Isystems/interact/TCP/ -Isystems/interact -Iivutils/include -ARCHIVE = x86_64-w64-mingw32-ar -ARCHFLAG = -rscv -DEPFLAGS = -M -#LINK = -#LINKFLAGS = -USRLIB = -SYSLIB = - -# ------ MAKE PROCEDURE ------ - -default: $(DIR) $(LIB) Makefile.lammps - -$(DIR): - mkdir $(DIR) - -Makefile.lammps: - @cp $(EXTRAMAKE) Makefile.lammps - -$(LIB): $(OBJ) - $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ) - @cp $(EXTRAMAKE) Makefile.lammps - -# ------ COMPILE RULES ------ - -$(DIR)%.o:%.cpp - $(CC) $(CCFLAGS) -c $< -o $@ -$(DIR)%.d:%.cpp - $(CC) $(CCFLAGS) $(DEPFLAGS) $< > $@ - -# ------ DEPENDENCIES ------ - -DEPENDS = $(OBJ:.o=.d) - -# ------ CLEAN ------ - -clean: - -rm *.d *~ $(OBJ) $(LIB) diff --git a/lib/awpmd/Makefile.mingw64-cross-mpi b/lib/awpmd/Makefile.mingw64-cross-mpi deleted file mode 100644 index 1ec1a0995b..0000000000 --- a/lib/awpmd/Makefile.mingw64-cross-mpi +++ /dev/null @@ -1,13 +0,0 @@ -# -*- makefile -*- wrapper for non-MPI libraries - -SHELL=/bin/sh - -all: - $(MAKE) $(MFLAGS) mingw64-cross - rm -f Obj_mingw64-mpi - ln -s Obj_mingw64 Obj_mingw64-mpi - -clean: - $(MAKE) $(MFLAGS) clean-mingw64-cross - rm -f Obj_mingw64-mpi - diff --git a/lib/h5md/Makefile.mpi b/lib/h5md/Makefile.mpi new file mode 120000 index 0000000000..df682a9547 --- /dev/null +++ b/lib/h5md/Makefile.mpi @@ -0,0 +1 @@ +Makefile.h5cc \ No newline at end of file diff --git a/lib/h5md/Makefile.serial b/lib/h5md/Makefile.serial new file mode 120000 index 0000000000..df682a9547 --- /dev/null +++ b/lib/h5md/Makefile.serial @@ -0,0 +1 @@ +Makefile.h5cc \ No newline at end of file