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Makefile.arch.example
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Makefile.arch.example
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# Change these settings for your install
# Fortran compiler
FC = ifort
MPIFORT = mpif90
# Flags for the fortran compiler
OPTIONS = -O2
# Currently the bse solver needs MPI and BLAS
OPTIONS += -DBLAS -DMPI
# Some installations of MPI don't have latest calls
# ( MPI_IALLREDUCE, etc. )
OPTIONS += -D__OLD_MPI
# We have some preprocessor macros using the "c-style"
OPTIONS += -cpp
# For newer gfortran
# OPTIONS += -fallow-argument-mismatch
# Some of the legacy routines don't always declare variables well
# We can force the promotion of single to double
# For ifort
# LEGACY_REAL = -real-size 64
# For gfortran (don't push doubles to quads)
# LEGACY_REAL = -fdefault-real-8 -default-double-8
# Other compiles likely have similar settings
# Many compilers have flush. We use it sometimes to force output before crashes
# OPTIONS += -DHAVE_FLUSH
# Linear algebra libraries
BLAS = -L/path/to/mkl -lmkl_intel_lp64 -lmkl_sequential -lmkl_core
# FFTW path. Several programs can use FFTW. Find it at fftw.org.
# (There is a fallback fft so FFTW is not required)
OPTIONS += -D__FFTW3
FFTWI = -I/path/to/fftw/include/
FFTWL = -L/path/to/fftw/lib/ -lfftw3
# Install Directory.
INSTDIR = /path/to/ocean/install
# OCEAN can use either ABINIT or QE.
# If you only want one then leave the other's varables commented out
#######################
# ABINIT Flags
# This says where abinit and cut3d live
# (cut3d is a post-processing tool available as part of the abinit toolset)
ABINIT_DIR = /path/to/abinit/install
ABINIT_EXE = $(ABINIT_DIR)/abinit
CUT3D_EXE = $(ABINIT_DIR)/cut3d
#######################
#######################
# ESPRESSO Flags
ESPRESSO_DIR = /path/to/espresso
PW_EXE = $(ESPRESSO_DIR)/bin/pw.x
PP_EXE = $(ESPRESSO_DIR)/bin/pp.x
PH_EXE = $(ESPRESSO_DIR)/bin/ph.x
#######################
# To support newer, oncvpsp pseudopotentials, download the latest release from https://github.com/jtv3/oncvpsp
#######################
# ONCVPSP Flags
ONCVPSP_DIR = /path/to/oncvpsp
#######################