# use byterecl for communication with C programs
FORTRAN=ftn -c -assume byterecl
# specify a path to the GSL libraries
IDGSL=/usr/include/gsl
LDGSL=/usr/lib64
FFLAGS=  -i8 -O2 -qopenmp -I$(MKLROOT)/include
FFLAGSCARE= -i8 -O0 -qopenmp -g -noautomatic -I$(MKLROOT)/include
FFLAGS2= -i8 -O2 -qopenmp -noautomatic -I$(MKLROOT)/include
CFLAGS= -DLINUX -DBIT64 -DINT64
CC=cc -c -O -qopenmp $(CFLAGS)
CCMOLDEN=gcc -c -DDOBACK -DHASTIMER -DCOLOR_OFFSET=0.0
LOADER=ftn -z muldefs -assume byterecl -qopenmp
MOLDENLIBS= -L/usr/X11R6/lib -lX11 -lm
AR=ar rv
ARX=ar x
#
#  with "-assume byterecl" RCLU4 has to be taken out
#  RCLU4 = record length specification in units of 4 bytes.
#  see CPPDIR, KEYWORDS,DKEYWORDS
#
CPPDIR=-I$(DALTON_DIR)/include -DCOLUMBUS -DSYS_LINUX -DPTR64 -Df90  -DVAR_BLAS3 -DINT64 -DVAR_SIRBIG
SPEC=$(COLUMBUS)/special/UNIX
KOPC=$(SPEC)/fdate.c $(SPEC)/fwtime.c $(SPEC)/hostnm.c \
$(SPEC)/flushstdout.c $(SPEC)/fsize.c $(SPEC)/getputvec.c
CDEF=cc  -c  -DFLUSH -DINT64 -DEXTNAME  -I$(SPEC)
YES=1
FIXED=-fixed
FREE=-free
OBJECTSCARE=mcscf8.o gdiis.o givens.o suscal.o transmo.o polyhes.o utilities.o dzero.o
# loop calculation is possibly cracked by ifort 11.0
# not yet determined where exactly
OBJECTSCAREFREE=   ciudg_loop.o    potentialmodfree.o potenrg.o  
BLASCONVERSION=StoDblas
KEYWORDS=jsc:unix:linux:milstd1753:bit64:format:blas2:blas3:pipemode:f90:f95:int64:molcas_int64:noenvsupport
# NO4XCHECK: switch off 4-external density matrix element initialization
#            causes difficulties when using parallel code but seems to have no impact on the computed density matrix elements
#            needs to be understood in detail
DKEYWORDS=-DJSC -DUNIX -DLINUX -DMILSTD1753 -DBIT64 -DBLAS2 -DBLAS3 -DPIPEMODE -DF90 -DF95 -DINT64 -DMOLCAS_INT64 -DNOENVSUPPORT -DGA50
DALTON2CPP=-DVAR_IFC -DSYS_LINUX -D_FILE_OFFSET_BITS=64 -DVAR_MFDS -DIMPLICIT_NONE -DVAR_SIRBIG
#MOLCASOBS=$(MOLCASOBS70P266)
#MOLCASOBS=$(MOLCASOBS72P40)
#MOLCASOBS=$(MOLCASOBS73P306)
#MOLCASOBS=$(MOLCASOBS75P560)
MOLCASOBS=$(MOLCASOBS77P49)
MOLCASFF=$(FFLAGS)
PARALLELKEYS=parallel:mpi
DPARALLELKEYS=-DPARALLEL -DMPI
MOLCASKEYS=molcas:molcas_int64
DMOLCASKEYS=-DMOLCAS -DMOLCAS_INT64
STATIC=-static -static-libgcc