Compiling BoltzTraP-1.2.5 with GNU


BoltzmannTransportProperties (BoltzTraP) can be obtained from http://www.icams.de/boltztrap

Point 1: Got to boltztrap src directory

$ cd $HOME/boltztrap-1.2.5/src

Point 2: Edit the Makefile

# gfortran
SHELL = /bin/sh
FC = gfortran
LIBS = -llapack -lblas

# generic
LINKER  =       $(FC)
LFLAGS  = -g #-pg
FGEN =
DESTDIR = .

EXECNAME = BoltzTraP

###############################################################################
FFLAGS = $(FGEN) $(FOPT)
EXEC = $(DESTDIR)/$(EXECNAME)

#..............................................................................
#
#  Object files common to both REAL and COMPLEX type subroutines
#
OBJS = gmlib2.o reallocate.o \
     m_bandstructure.o m_input.o m_fermimod.o \
     m_interfaces.o \
     latgen2.o generic_field.o gtfnam.o gen_lattpoints.o \
     BoltzTraP.o crystal_band.o wien_band.o phon_band.o generic_band.o pw_interface.o \
     add_inv.o bandana.o stern1.o kdelta.o fite4.o sortag.o gplbands.o \
     dos.o ifflim.o setfft.o c3fft.o boseintegrals.o fermiintegrals.o bands.o kcomp.o \
     bz.o fermisurface.o setfft2.o write_dx_fs.o write_dx_bz.o write_cube_fs.o \
     dos_histogram.o dos_tetra.o noculc.o dosvv.o readvv.o \
     phonondrag.o
#OBJS = \
#        reallocate.o defs.o modules.o broad.o add_inv.o \
#        c3fft.o gtfnam.o ifflim.o mknam.o read_energy.o \
#        transport.o stern.o kdelta.o gen_lattpoints.o fite4.o setfft.o \
#        starfkt2.o dos.o

$(EXEC): $(OBJS)
        $(LINKER) $(LFLAGS) -o $(EXEC) $(OBJS) $(LDFLAGS) $(LIBS) $(LFLAGS)


clean:
        rm -f *.o *.mod *.pc *.pcl *~

.SUFFIXES: .F90 .o
.F90.o:
        $(FC) $(FFLAGS) -c $<

3. Make Install

$ make

You should see a BoltzTraP executable in the src directory

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