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#
## export MODULEPATH=/usr/local/modulefiles/MISC:$MODULEPATH
## module load parastation/5.2.0-1
## export MKLROOT=/usr/local/intel/compilers_and_libraries_2018.0.128/linux/mkl
## export LD_LIBRARY_PATH=${MKLROOT}/lib
#
### module load Intel/2018.2.199-GCC-5.5.0 ParaStationMPI/5.2.1-1 imkl/2018.2.199
#
##### export MODULEPATH=/usr/local/software/haswell/Stages/2018a/modules/all/Compiler/mpi/intel/2018.2.199-GCC-5.5.0/:$MODULEPATH
##### module load ParaStationMPI/5.2.1-1
CC = gcc
CPP =
FC = mpif90
LD = mpif90
AR = ar -r
FFTW_LIB = /p/home/jusers/$USER/deep/fftw/3.3.8/lib
FFTW_INC = /p/home/jusers/$USER/deep/fftw/3.3.8/include
LIB_DIR = $(HOME)/cp2k/libs/
LIBINT_INC = $(LIB_DIR)/libint/1.1.4/include
LIBINT_LIB = $(LIB_DIR)/libint/1.1.4/lib
LIBXC_INC = $(LIB_DIR)/libxc/4.2.3/include
LIBXC_LIB = $(LIB_DIR)/libxc/4.2.3/lib
DFLAGS = -D__MKL -D__FFTW3 -D__LIBINT -D__LIBXC -D__parallel -D__SCALAPACK #-D__HAS_NO_SHARED_GLIBC
CPPFLAGS =
FCFLAGS = $(DFLAGS) -O3 -ffast-math -ffree-form -ffree-line-length-none\
-fopenmp -ftree-vectorize -funroll-loops -march=core-avx2\
-m64\
-I$(FFTW_INC) -I$(LIBINT_INC) -I$(LIBXC_INC) -I${MKLROOT}/include
LDFLAGS = $(FCFLAGS) #-static
LIBS = $(FFTW_LIB)/libfftw3.a\
$(FFTW_LIB)/libfftw3_threads.a\
-L$(MKLROOT)/lib/intel64\
-Wl,--no-as-needed\
-lmkl_scalapack_lp64\
-lmkl_gf_lp64\
-lmkl_sequential\
-lmkl_core\
-lmkl_blacs_intelmpi_lp64\
-lpthread -lm -ldl\
$(LIBXC_LIB)/libxcf03.a\
$(LIBXC_LIB)/libxc.a\
$(LIBINT_LIB)/libderiv.a\
$(LIBINT_LIB)/libint.a