#
# module load GCC/8.2.0 ParaStationMPI/5.2.1-1 FFTW/3.3.8 imkl/2019.0.117 
#

CC          = gcc
CPP         =
FC          = mpif90
LD          = mpif90
AR          = ar -r
FFTW_INC    = $(EBROOTFFTW)/include
FFTW_LIB    = $(EBROOTFFTW)/lib
LIB_DIR	    = /p/project/cprpb68/$USER/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     = $(DFLAGS) -O3 -ffast-math -ffree-form -ffree-line-length-none\
              -fopenmp -ftree-vectorize -funroll-loops -march=skylake-avx512\
	      -m64\
              -I$(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