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# *
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# *_________________________________________________________________________*
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# * Fortran Library for Reactive Force Field *
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# * DESCRIPTION: SEE READ-ME *
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# * FILE NAME: Makefile *
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# * CONTRIBUTING AUTHORS: Hansohl Cho(MIT), Aidan Thompson(SNL) *
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# * and Greg Wagner(SNL) *
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# * CONTACT: hansohl@mit.edu, athompson@sandia.gov, gjwagne@sandia.gov *
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# *_________________________________________________________________________*/
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# To compile and link LAMMPS to the reax library generated by this Makefile,
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# you need to first install the reax package (make yes-reax), after which the
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# file Makefile.package should look something like:
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# PKG_INC = -I../../lib/reax
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# PKG_PATH = -L../../lib/reax
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# PKG_LIB = -lreax
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# PKG_SYSPATH = $(reax_SYSPATH)
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# PKG_SYSLIB = $(reax_SYSLIB)
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# The reax_SYSPATH and reax_SYSLIB variables contain compiler options
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# giving the paths of needed FORTRAN libraries, and their names, respectively
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#
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SHELL = /bin/sh
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# ------ FILES ------
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SRC = reax_connect.F reax_inout.F reax_lammps.F reax_poten.F reax_reac.F reax_charges.F
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HEADERFILES = reax_defs.h *.blk
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# ------ DEFINITIONS ------
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LIB = libreax.a
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OBJ = $(SRC:.F=.o)
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# ------ SETTINGS ------
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F90 = g77
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F90FLAGS = -O -fPIC
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ARCHIVE = ar
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ARCHFLAG = -rc
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USRLIB =
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SYSLIB =
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# ------ MAKE PROCEDURE ------
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lib: $(OBJ)
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$(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
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# ------ COMPILE RULES ------
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%.o:%.F $(HEADERFILES)
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$(F90) $(F90FLAGS) -c $<
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# ------ CLEAN ------
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clean:
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-rm *.o $(LIB)
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@ -8,23 +8,12 @@
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# * CONTACT: hansohl@mit.edu, athompson@sandia.gov, gjwagne@sandia.gov *
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# *_________________________________________________________________________*/
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# To compile and link LAMMPS to the reax library generated by this Makefile,
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# you need to first install the reax package (make yes-reax), after which the
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# file Makefile.package should look something like:
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# PKG_INC = -I../../lib/reax
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# PKG_PATH = -L../../lib/reax
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# PKG_LIB = -lreax
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# PKG_SYSPATH = $(reax_SYSPATH)
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# PKG_SYSLIB = $(reax_SYSLIB)
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# The reax_SYSPATH and reax_SYSLIB variables contain compiler options
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# giving the paths of needed FORTRAN libraries, and their names, respectively
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#
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SHELL = /bin/sh
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# which file will be copied to Makefile.lammps
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EXTRAMAKE = Makefile.lammps.gfortran
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# ------ FILES ------
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SRC = reax_connect.F reax_inout.F reax_lammps.F reax_poten.F reax_reac.F reax_charges.F
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@ -49,6 +38,7 @@ SYSLIB =
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lib: $(OBJ)
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$(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
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@cp $(EXTRAMAKE) Makefile.lammps
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# ------ COMPILE RULES ------
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@ -8,27 +8,12 @@
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# * CONTACT: hansohl@mit.edu, athompson@sandia.gov, gjwagne@sandia.gov *
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# *_________________________________________________________________________*/
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# To compile and link LAMMPS to the reax library generated by this Makefile,
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# you need to first install the reax package (make yes-reax), after which the
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# file Makefile.package should look something like:
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# PKG_INC = -I../../lib/reax
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# PKG_PATH = -L../../lib/reax
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# PKG_LIB = -lreax
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# PKG_SYSPATH = $(reax_SYSPATH)
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# PKG_SYSLIB = $(reax_SYSLIB)
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# The reax_SYSPATH and reax_SYSLIB variables contain compiler options
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# giving the paths of needed FORTRAN libraries, and their names, respectively
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#
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# For Makefile.gfortran, try
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#
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# reax_SYSPATH = -L/usr/lib
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# reax_SYSLIB = -lgfortran
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SHELL = /bin/sh
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# which file will be copied to Makefile.lammps
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EXTRAMAKE = Makefile.lammps.gfortran
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# ------ FILES ------
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SRC = reax_connect.F reax_inout.F reax_lammps.F reax_poten.F reax_reac.F reax_charges.F
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@ -53,6 +38,7 @@ SYSLIB =
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lib: $(OBJ)
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$(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
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@cp $(EXTRAMAKE) Makefile.lammps
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# ------ COMPILE RULES ------
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@ -8,27 +8,12 @@
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# * CONTACT: hansohl@mit.edu, athompson@sandia.gov, gjwagne@sandia.gov *
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# *_________________________________________________________________________*/
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# To compile and link LAMMPS to the reax library generated by this Makefile,
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# you need to first install the reax package (make yes-reax), after which the
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# file Makefile.package should look something like:
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# PKG_INC = -I../../lib/reax
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# PKG_PATH = -L../../lib/reax
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# PKG_LIB = -lreax
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# PKG_SYSPATH = $(reax_SYSPATH)
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# PKG_SYSLIB = $(reax_SYSLIB)
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# The reax_SYSPATH and reax_SYSLIB variables contain compiler options
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# giving the paths of needed FORTRAN libraries, and their names, respectively
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#
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# For Makefile.ifort, try
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#
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# reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib
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# reax_SYSLIB = -lifcore -lsvml -lompstub -limf
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SHELL = /bin/sh
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# which file will be copied to Makefile.lammps
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EXTRAMAKE = Makefile.lammps.ifort
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# ------ FILES ------
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SRC = reax_connect.F reax_inout.F reax_lammps.F reax_poten.F reax_reac.F reax_charges.F
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@ -53,6 +38,7 @@ SYSLIB =
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lib: $(OBJ)
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$(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
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@cp $(EXTRAMAKE) Makefile.lammps
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# ------ COMPILE RULES ------
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@ -1,5 +0,0 @@
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# Settings that the LAMMPS build will import when this package library is used
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reax_SYSINC =
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reax_SYSLIB = -lifcore -lsvml -lompstub -limf
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reax_SYSPATH = -L/opt/intel/fce/10.0.023/lib
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# * CONTACT: hansohl@mit.edu, athompson@sandia.gov, gjwagne@sandia.gov *
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# *_________________________________________________________________________*/
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# To compile and link LAMMPS to the reax library generated by this Makefile,
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# you need to first install the reax package (make yes-reax), after which the
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# file Makefile.package should look something like:
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# PKG_INC = -I../../lib/reax
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# PKG_PATH = -L../../lib/reax
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# PKG_LIB = -lreax
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# PKG_SYSPATH = $(reax_SYSPATH)
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# PKG_SYSLIB = $(reax_SYSLIB)
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# The reax_SYSPATH and reax_SYSLIB variables contain compiler options
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# giving the paths of needed FORTRAN libraries, and their names, respectively
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#
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SHELL = /bin/sh
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# which file will be copied to Makefile.lammps
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EXTRAMAKE = Makefile.lammps.pgf90
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# ------ FILES ------
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SRC = reax_connect.F reax_inout.F reax_lammps.F reax_poten.F reax_reac.F reax_charges.F
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@ -49,6 +38,7 @@ SYSLIB =
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lib: $(OBJ)
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$(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
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@cp $(EXTRAMAKE) Makefile.lammps
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# ------ COMPILE RULES ------
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@ -8,28 +8,12 @@
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# * CONTACT: hansohl@mit.edu, athompson@sandia.gov, gjwagne@sandia.gov *
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# *_________________________________________________________________________*/
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# To compile and link LAMMPS to the reax library generated by this Makefile,
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# you need to first install the reax package (make yes-reax), after which the
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# file Makefile.package should look something like:
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# PKG_INC = -I../../lib/reax
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# PKG_PATH = -L../../lib/reax
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# PKG_LIB = -lreax
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# PKG_SYSPATH = $(reax_SYSPATH)
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# PKG_SYSLIB = $(reax_SYSLIB)
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# The reax_SYSPATH and reax_SYSLIB variables contain compiler options
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# giving the paths of needed FORTRAN libraries, and their names, respectively
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#
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# For Makefile.redsky, try
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#
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# reax_SYSPATH = -L/projects/global/x86_64/compilers/intel/intel-11.1-cprof-06
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4/lib/intel64
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# reax_SYSLIB = -lifcore -lsvml -lompstub -limf
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SHELL = /bin/sh
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# which file will be copied to Makefile.lammps
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EXTRAMAKE = Makefile.lammps.ifort
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# ------ FILES ------
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SRC = reax_connect.F reax_inout.F reax_lammps.F reax_poten.F reax_reac.F reax_charges.F
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@ -54,6 +38,7 @@ SYSLIB =
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lib: $(OBJ)
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$(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
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@cp $(EXTRAMAKE) Makefile.lammps
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# ------ COMPILE RULES ------
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@ -8,27 +8,12 @@
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# * CONTACT: hansohl@mit.edu, athompson@sandia.gov, gjwagne@sandia.gov *
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# *_________________________________________________________________________*/
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# To compile and link LAMMPS to the reax library generated by this Makefile,
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# you need to first install the reax package (make yes-reax), after which the
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# file Makefile.package should look something like:
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# PKG_INC = -I../../lib/reax
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# PKG_PATH = -L../../lib/reax
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# PKG_LIB = -lreax
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# PKG_SYSPATH = $(reax_SYSPATH)
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# PKG_SYSLIB = $(reax_SYSLIB)
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# The reax_SYSPATH and reax_SYSLIB variables contain compiler options
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# giving the paths of needed FORTRAN libraries, and their names, respectively
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#
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# For Makefile.tbird, try
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#
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# reax_SYSPATH = -L/projects/global/x86_64/compilers/intel/intel-11.0-cprof-074/lib/intel64
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# reax_SYSLIB = -lm -lsvml -lifport -lifcore
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SHELL = /bin/sh
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# which file will be copied to Makefile.lammps
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EXTRAMAKE = Makefile.lammps.ifort
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# ------ FILES ------
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SRC = reax_connect.F reax_inout.F reax_lammps.F reax_poten.F reax_reac.F reax_charges.F
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@ -53,6 +38,7 @@ SYSLIB =
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lib: $(OBJ)
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$(ARCHIVE) $(ARFLAGS) $(LIB) $(OBJ)
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@cp $(EXTRAMAKE) Makefile.lammps
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# ------ COMPILE RULES ------
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