diff --git a/lib/linalg/Install.py b/lib/linalg/Install.py new file mode 120000 index 000000000..ffe709d44 --- /dev/null +++ b/lib/linalg/Install.py @@ -0,0 +1 @@ +../Install.py \ No newline at end of file diff --git a/lib/linalg/Makefile.mpi b/lib/linalg/Makefile.mpi new file mode 100644 index 000000000..dd22ff134 --- /dev/null +++ b/lib/linalg/Makefile.mpi @@ -0,0 +1,52 @@ +# -*- makefile -*- +# *_________________________________________________________________________* +# * Minimal BLAS/LAPACK Library for use by other LAMMPS packages + +SHELL = /bin/sh + +# ------ FILES ------ + +SRC = $(wildcard *.f) + +FILES = $(SRC) Makefile.* README + +# ------ DEFINITIONS ------ + +LIB = liblinalg.a +OBJ = $(SRC:.f=.o) + +# ------ SETTINGS ------ + +FC = mpifort +FFLAGS = -O3 -fPIC +FFLAGS0 = -O0 -fPIC +ARCHIVE = ar +AR = ar +ARCHFLAG = -rcs +USRLIB = +SYSLIB = + +# ------ MAKE PROCEDURE ------ + +lib: $(OBJ) + $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ) + +# ------ COMPILE RULES ------ + +%.o:%.F + $(F90) $(F90FLAGS) -c $< + +%.o:%.f + $(FC) $(FFLAGS) -c $< + +dlamch.o: dlamch.f + $(FC) $(FFLAGS0) -c $< + +# ------ CLEAN ------ + +clean: + -rm -f *.o *.mod *~ $(LIB) + +tar: + -tar -czvf ../linalg.tar.gz $(FILES) + diff --git a/lib/meam/Makefile.lammps.empty b/lib/meam/Makefile.lammps.empty new file mode 100644 index 000000000..10394b68a --- /dev/null +++ b/lib/meam/Makefile.lammps.empty @@ -0,0 +1,5 @@ +# Settings that the LAMMPS build will import when this package library is used + +meam_SYSINC = +meam_SYSLIB = +meam_SYSPATH = diff --git a/lib/meam/Makefile.mingw32-cross b/lib/meam/Makefile.mingw32-cross deleted file mode 100644 index d4d2dad09..000000000 --- a/lib/meam/Makefile.mingw32-cross +++ /dev/null @@ -1,69 +0,0 @@ -# * -*- makefile -*- -# *_________________________________________________________________________* -# * MEAM: MODEFIED EMBEDDED ATOM METHOD * -# * DESCRIPTION: SEE READ-ME * -# * FILE NAME: Makefile * -# * AUTHORS: Greg Wagner, Sandia National Laboratories * -# * CONTACT: gjwagne@sandia.gov * -# *_________________________________________________________________________*/ - -SHELL = /bin/sh - -# which file will be copied to Makefile.lammps - -EXTRAMAKE = Makefile.lammps.gfortran - -# ------ FILES ------ - -SRC = meam_data.F meam_setup_done.F meam_setup_global.F meam_setup_param.F meam_dens_init.F meam_dens_final.F meam_force.F meam_cleanup.F - -FILES = $(SRC) Makefile - -# ------ DEFINITIONS ------ - -DIR = Obj_mingw32/ -LIB = $(DIR)libmeam.a -OBJ = $(SRC:%.F=$(DIR)%.o) $(DIR)fm_exp.o - -# ------ SETTINGS ------ - -F90 = i686-w64-mingw32-gfortran -F90FLAGS = -O3 -march=i686 -mtune=generic -mfpmath=387 -mpc64 \ - -ffast-math -funroll-loops -fstrict-aliasing -J$(DIR) \ - -Wall -W -Wno-uninitialized -fno-second-underscore -#F90FLAGS = -O -ARCHIVE = i686-w64-mingw32-ar -ARCHFLAG = -rcs -LINK = i686-w64-mingw32-g++ -LINKFLAGS = -O -USRLIB = -SYSLIB = - -# ------ MAKE PROCEDURE ------ - -default: $(DIR) $(LIB) - -$(DIR): - -mkdir $(DIR) - -$(LIB): $(OBJ) - $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ) - @cp $(EXTRAMAKE) Makefile.lammps - -# ------ COMPILE RULES ------ - -$(DIR)%.o:%.F - $(F90) $(F90FLAGS) -c $< -o $@ - -$(DIR)%.o:%.c - $(F90) $(F90FLAGS) -c $< -o $@ - -include .depend -# ------ CLEAN ------ - -clean: - -rm $(DIR)*.o $(DIR)*.mod *~ $(LIB) - -rmdir $(DIR) - -tar: - -tar -cvf ../MEAM.tar $(FILES) diff --git a/lib/meam/Makefile.mingw32-cross-mpi b/lib/meam/Makefile.mingw32-cross-mpi deleted file mode 100644 index 1e35c5b46..000000000 --- a/lib/meam/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/meam/Makefile.mingw64-cross-mpi b/lib/meam/Makefile.mingw64-cross-mpi deleted file mode 100644 index ca6f4a6d4..000000000 --- a/lib/meam/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/meam/Makefile.mingw64-cross b/lib/meam/Makefile.mpi similarity index 63% rename from lib/meam/Makefile.mingw64-cross rename to lib/meam/Makefile.mpi index 1a8e97feb..fd3dbde55 100644 --- a/lib/meam/Makefile.mingw64-cross +++ b/lib/meam/Makefile.mpi @@ -1,69 +1,61 @@ -# * -*- makefile -*- +# * # *_________________________________________________________________________* # * MEAM: MODEFIED EMBEDDED ATOM METHOD * # * DESCRIPTION: SEE READ-ME * # * FILE NAME: Makefile * # * AUTHORS: Greg Wagner, Sandia National Laboratories * # * CONTACT: gjwagne@sandia.gov * # *_________________________________________________________________________*/ SHELL = /bin/sh # which file will be copied to Makefile.lammps -EXTRAMAKE = Makefile.lammps.gfortran +EXTRAMAKE = Makefile.lammps.empty # ------ FILES ------ SRC = meam_data.F meam_setup_done.F meam_setup_global.F meam_setup_param.F meam_dens_init.F meam_dens_final.F meam_force.F meam_cleanup.F FILES = $(SRC) Makefile # ------ DEFINITIONS ------ -DIR = Obj_mingw64/ -LIB = $(DIR)libmeam.a -OBJ = $(SRC:%.F=$(DIR)%.o) $(DIR)fm_exp.o +LIB = libmeam.a +OBJ = $(SRC:.F=.o) fm_exp.o # ------ SETTINGS ------ -F90 = x86_64-w64-mingw32-gfortran -F90FLAGS = -O3 -march=core2 -mtune=core2 -msse2 -mpc64 \ - -ffast-math -funroll-loops -fstrict-aliasing -J$(DIR) \ - -Wall -W -Wno-uninitialized -fno-second-underscore +F90 = mpifort +CC = mpicc +F90FLAGS = -O3 -fPIC #F90FLAGS = -O -ARCHIVE = x86_64-w64-mingw32-ar -ARCHFLAG = -rcs -LINK = x86_64-w64-mingw32-g++ +ARCHIVE = ar +ARCHFLAG = -rc +LINK = mpicxx LINKFLAGS = -O USRLIB = SYSLIB = # ------ MAKE PROCEDURE ------ -default: $(DIR) $(LIB) - -$(DIR): - -mkdir $(DIR) - -$(LIB): $(OBJ) +lib: $(OBJ) $(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ) @cp $(EXTRAMAKE) Makefile.lammps # ------ COMPILE RULES ------ -$(DIR)%.o:%.F - $(F90) $(F90FLAGS) -c $< -o $@ +%.o:%.F + $(F90) $(F90FLAGS) -c $< -$(DIR)%.o:%.c - $(F90) $(F90FLAGS) -c $< -o $@ +%.o:%.c + $(CC) $(F90FLAGS) -c $< include .depend # ------ CLEAN ------ clean: - -rm $(DIR)*.o $(DIR)*.mod *~ $(LIB) - -rmdir $(DIR) + -rm *.o *.mod *~ $(LIB) tar: -tar -cvf ../MEAM.tar $(FILES) diff --git a/lib/meam/Makefile.serial b/lib/meam/Makefile.serial new file mode 120000 index 000000000..c52fbcb98 --- /dev/null +++ b/lib/meam/Makefile.serial @@ -0,0 +1 @@ +Makefile.gfortran \ No newline at end of file