#
## 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