File: 02_makefile_flags.patch

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Index: nwchem/src/config/makefile.h
===================================================================
--- nwchem.orig/src/config/makefile.h
+++ nwchem/src/config/makefile.h
@@ -1323,14 +1323,14 @@ endif
 endif
 
 
-ifeq ($(TARGET),$(findstring $(TARGET),LINUX CYGNUS CYGWIN))
+ifeq ($(TARGET),$(findstring $(TARGET),LINUX LINUX64 CYGNUS CYGWIN))
 #
 #
 # Linux or Cygwin under Windows running on an x86 using g77
 #
        NICE = nice -n 2
       SHELL := $(NICE) /bin/sh
-    CORE_SUBDIRS_EXTRA = blas lapack
+    CORE_SUBDIRS_EXTRA = 
          CC = gcc
      RANLIB = ranlib
   MAKEFLAGS = -j 1 --no-print-directory
@@ -1354,7 +1354,7 @@ ifeq ($(TARGET),$(findstring $(TARGET),L
    endif
    endif
 
-         LINUXCPU = $(shell uname -m |\
+         LINUXCPU_ = $(shell uname -m |\
                  awk ' /sparc/ { print "sparc" }; /i*86/ { print "x86" };  /ppc*/ { print "ppc"};  /arm*/ { print "arm"}; /mips*/ { print "mips"} ' )
 
      GOTMINGW32= $(shell $(CC) -dM -E - </dev/null 2> /dev/null |grep MINGW32|cut -c21)
@@ -1375,7 +1375,7 @@ ifeq ($(TARGET),$(findstring $(TARGET),L
       COPTIONS   = -Wall
       COPTIMIZE  = -g -O2
       ifeq ($(_FC),gfortran)
-        FOPTIONS   = # -Wextra -Wunused  
+        FOPTIONS   = -g -O2 -ffast-math -fno-aggressive-loop-optimizations
         FOPTIMIZE  += -ffast-math -Wuninitialized
         DEFINES  += -DGFORTRAN
         GNUMAJOR=$(shell $(_FC) -dM -E - < /dev/null 2> /dev/null | grep __GNUC__ |cut -c18-)
@@ -1415,7 +1415,7 @@ ifeq ($(LINUXCPU),x86)
     DEFINES += -DCYGWIN -DCYGNUS
   endif
   
-  _CPU = $(shell uname -m  )
+  _CPU_ = $(shell uname -m  )
 
       ifeq ($(FC),g77)
   _G77V33= $(shell g77 -v  2>&1|egrep spec|head -n 1|awk ' /3.3/  {print "Y"}')
@@ -1665,7 +1665,7 @@ ifeq ($(LINUXCPU),x86)
 endif
 #EXTRA_LIBS +=-lefence # link against Electricfence
 
-CORE_LIBS += -lnwclapack $(BLASOPT) -lnwcblas
+#CORE_LIBS += -lnwclapack $(BLASOPT) -lnwcblas
 
 # end of Linux, Cygnus
 endif
@@ -1791,9 +1791,6 @@ endif
 	 LDOPTIONS += $(shell mpif90  -show 2>&1 |cut -d " " -f 2) 
       endif
       ifeq ($(_FC),gfortran)
-       ifneq ($(DONTHAVEM64OPT),Y)
-         FOPTIONS   = -m64
-       endif
         COPTIONS += -Wall
        ifdef  USE_FPE
          FOPTIONS += -ffpe-trap=invalid,zero,overflow  -fbacktrace
@@ -2273,7 +2270,7 @@ endif
           FOPTIONS +=  -ff2c -fno-second-underscore
         endif
         ifeq ($(GNU_GE_4_6),true) 
-          FOPTIMIZE +=  -mtune=native
+          FOPTIMIZE +=
           FOPTIONS += -finline-functions
         endif
 #        FVECTORIZE  += -ftree-vectorize -ftree-vectorizer-verbose=1
Index: nwchem/src/peigs/DEFS
===================================================================
--- nwchem.orig/src/peigs/DEFS
+++ nwchem/src/peigs/DEFS
@@ -68,7 +68,7 @@ peigs_FC = $(NWFC) $(FOPTIONS) $(FOPTIMI
 # this is needed because -DCRAY-T3E cannot be a macro definition it should be -DCRAY_T3E
 #
 peigs_TARGET_definition = $(peigs_TARGET)
-peigs_CC = $(NWCC) $(COPTIONS) -I$(peigs_HDIR) -D$(peigs_TARGET_definition) -D$(peigs_CPU)
+peigs_CC = $(NWCC) $(COPTIONS) -I$(peigs_HDIR) -D$(peigs_TARGET_definition)
 peigs_LINK = $(FC) $(FOPTIONS) -I$(peigs_HDIR)
 peigs_COMM = TCGMSG
 peigs_CPP  = $(CPP) -I$(peigs_HDIR) -D$(peigs_CPU) -D$(peigs_COMM) -D$(peigs_TARGET_definition) -P
@@ -509,7 +509,7 @@ endif
 
 ifeq ($(peigs_TARGET),$(findstring $(peigs_TARGET),LINUX64 CYGWIN64 CATAMOUNT))
 #alpha with /tcgmsg
-_CPU = $(shell uname -m  )
+_CPU_ = $(shell uname -m  )
 #hack for mingw64
 ifeq ($(_CPU),amd64)
 _CPU = x86_64
@@ -519,14 +519,14 @@ _CPU = x86_64
 endif
 	peigs_COMM = TCGMSG
 	peigs_CODEOBJ = DBLE
-	peigs_CPP = $(CPP) -D${CPU} -DSTD_DBL 
+	peigs_CPP = $(CPP) -DLINUX64 -DSTD_DBL 
 	ifdef USE_INTEGER4
 	peigs_CPP += -DSTD_INT
 	peigs_CC  += -DSTD_INT
 	peigs_FC  += -DSTD_INT
 	endif
 	peigs_CC  += -DSTD_DBL 
-	peigs_FC +=  -DSTD_DBL    -D$(peigs_COMM)  -D$(peigs_CPU)
+	peigs_FC +=  -DSTD_DBL    -D$(peigs_COMM)  -DLINUX64
 ifeq ($(_CPU),alpha)
 	peigs_CPU  = ALPHA
 ifeq ($(CC),gcc)
@@ -605,7 +605,7 @@ ifeq ($(peigs_TARGET),$(findstring $(pei
 #
 peigs_COMM = TCGMSG
 peigs_CODEOBJ = DBLE
-peigs_CPU = PENTIUM
+peigs_CPU = LINUX
 
 ifeq ($(peigs_TARGET), CYGNUS CYGWIN)
 peigs_CC += -DLINUX