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distrib > Fedora > 15 > i386 > by-pkgid > 5a669f4ce36a5685a31f083c38a94127 > files > 2

cp2k-2.1-3.20101006.fc15.src.rpm

diff -up cp2k/arch/Linux-i686-gfortran.sopt.r cp2k/arch/Linux-i686-gfortran.sopt
--- cp2k/arch/Linux-i686-gfortran.sopt.r	2010-12-06 23:06:30.000000000 +0100
+++ cp2k/arch/Linux-i686-gfortran.sopt	2010-12-06 23:48:08.000000000 +0100
@@ -0,0 +1,20 @@
+#
+# gfortran arch file, currently for testing gfortran (svn version 4.3)
+# status on http://gcc.gnu.org/bugzilla/show_bug.cgi?id=29975
+#
+CC       = cc
+CPP      = 
+
+FC       = gfortran
+LD       = gfortran
+
+AR       = ar -r
+
+CPPFLAGS = 
+DFLAGS   = -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6
+OPTFLAGS = -O2 -ffast-math -funroll-loops -ftree-vectorize -march=native
+FCFLAGS  = $(OPTFLAGS) -ffree-form $(DFLAGS)
+LDFLAGS  = $(FCFLAGS) 
+LIBS     = -llapack -lf77blas -latlas -lfftw3 -lint -lderiv
+
+OBJECTS_ARCHITECTURE = machine_gfortran.o
diff -up cp2k/arch/Linux-i686-gfortran.ssmp.r cp2k/arch/Linux-i686-gfortran.ssmp
--- cp2k/arch/Linux-i686-gfortran.ssmp.r	2010-12-06 23:06:30.000000000 +0100
+++ cp2k/arch/Linux-i686-gfortran.ssmp	2010-12-06 23:48:15.000000000 +0100
@@ -0,0 +1,20 @@
+#
+# gfortran arch file, currently for testing gfortran (svn version 4.3)
+# status on http://gcc.gnu.org/bugzilla/show_bug.cgi?id=29975
+#
+CC       = cc
+CPP      = 
+
+FC       = gfortran
+LD       = gfortran
+
+AR       = ar -r
+
+CPPFLAGS = 
+DFLAGS   = -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6
+OPTFLAGS = -O2 -ffast-math -funroll-loops -ftree-vectorize -march=native
+FCFLAGS  = $(OPTFLAGS) -ffree-form -fopenmp $(DFLAGS)
+LDFLAGS  = $(FCFLAGS) 
+LIBS     = -llapack -lf77blas -latlas -lfftw3 -lint -lderiv
+
+OBJECTS_ARCHITECTURE = machine_gfortran.o
diff -up cp2k/arch/Linux-x86-64-gfortran.sopt.r cp2k/arch/Linux-x86-64-gfortran.sopt
--- cp2k/arch/Linux-x86-64-gfortran.sopt.r	2007-10-27 21:05:41.000000000 +0200
+++ cp2k/arch/Linux-x86-64-gfortran.sopt	2010-12-06 23:48:21.000000000 +0100
@@ -11,9 +11,10 @@ LD       = gfortran
 AR       = ar -r
 
 CPPFLAGS = 
-DFLAGS   = -D__GFORTRAN -D__FFTSG -D__FFTW3 
-FCFLAGS  = -O2 -ffast-math -funroll-loops -ftree-vectorize -march=native -ffree-form $(DFLAGS)
+DFLAGS   = -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6
+OPTFLAGS = -O2 -ffast-math -funroll-loops -ftree-vectorize -march=native
+FCFLAGS  = $(OPTFLAGS) -ffree-form $(DFLAGS)
 LDFLAGS  = $(FCFLAGS) 
-LIBS     = -llapack -lblas -lfftw3
+LIBS     = -llapack -lf77blas -latlas -lfftw3 -lint -lderiv
 
 OBJECTS_ARCHITECTURE = machine_gfortran.o
diff -up cp2k/arch/Linux-x86-64-gfortran.ssmp.r cp2k/arch/Linux-x86-64-gfortran.ssmp
--- cp2k/arch/Linux-x86-64-gfortran.ssmp.r	2010-12-06 23:06:30.000000000 +0100
+++ cp2k/arch/Linux-x86-64-gfortran.ssmp	2010-12-06 23:48:27.000000000 +0100
@@ -0,0 +1,20 @@
+#
+# gfortran arch file, currently for testing gfortran (svn version 4.3)
+# status on http://gcc.gnu.org/bugzilla/show_bug.cgi?id=29975
+#
+CC       = cc
+CPP      = 
+
+FC       = gfortran
+LD       = gfortran
+
+AR       = ar -r
+
+CPPFLAGS = 
+DFLAGS   = -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBINT_MAX_AM=7 -D__LIBDERIV_MAX_AM1=6
+OPTFLAGS = -O2 -ffast-math -funroll-loops -ftree-vectorize -march=native
+FCFLAGS  = $(OPTFLAGS) -ffree-form -fopenmp $(DFLAGS)
+LDFLAGS  = $(FCFLAGS) 
+LIBS     = -llapack -lf77blas -latlas -lfftw3 -lint -lderiv
+
+OBJECTS_ARCHITECTURE = machine_gfortran.o
diff -up cp2k/makefiles/Makefile.r cp2k/makefiles/Makefile
--- cp2k/makefiles/Makefile.r	2010-06-14 14:46:46.000000000 +0200
+++ cp2k/makefiles/Makefile	2010-12-06 23:06:30.000000000 +0100
@@ -66,15 +66,15 @@ CLEAN_TARGETS = $(addsuffix /clean ,$(VE
 # lists the targets that are not files
 #
 .PHONY : _all libs _progr _lib build clean realclean distclean $(CLEAN_TARGETS)\
-         $(ALL_TARGETS) $(LIB_TARGETS) $(VERSION_TARGETS) fes dirs deptool
+         $(ALL_TARGETS) $(LIB_TARGETS) $(VERSION_TARGETS) fes dirs
 
 ### Master rules ###
-build: dirs deptool
+build: dirs
 	$(MAKE) -C $(SRCDIR) -f $(MAKEFILE) all.dep
 	$(MAKE) -C $(SRCDIR)/lib -f $(MAKEFILE) lib.dep
 	$(MAKE) -C $(OBJDIR)/$(VERSION) -f $(MAKEFILE) $(WHAT)
 
-fes: dirs deptool
+fes: dirs
 	$(MAKE) -C $(TOOLSRC)/metadyn/  -f $(MAKEFILE) fes.dep
 	$(MAKE) -C $(OBJDIR)/$(VERSION) -f $(MAKEFILE) VERSION=$(VERSION) $(FES) 
 
@@ -91,9 +91,6 @@ pretty: dirs
 	$(MAKE) -C $(SRCDIR) -f $(MAKEFILE) _pretty
 	$(MAKE) -C $(SRCDIR)/lib -f $(MAKEFILE) _pretty_lib3
 
-deptool: dirs
-	$(MAKE) -C $(TOOLDIR) -f $(MAKEFILE) makedepf90
-
 libs:
 	$(MAKE) -f $(MAKEFILE) VERSION=$(VERSION) WHAT=_lib build
 all:
@@ -106,7 +103,7 @@ cpshell:
 #
 # on a parallel build only one task should go a build the deptool
 #
-$(VERSION_TARGETS): dirs deptool
+$(VERSION_TARGETS): dirs
 	$(MAKE) -f $(MAKEFILE) VERSION=$@ build
 
 $(CLEAN_TARGETS):
@@ -191,15 +188,15 @@ all.dep: $(OBJECTS:.o=.F) cp_common_uses
 ifeq ($(HACKDEP),yes)
 	echo $^ | awk '{for (i=1;i<=NF;i++) {obj=$$(i) ; sub(".F",".o",obj); if ($$(i)!=obj) print obj,":",$$(i) }}' > $(OBJDIR)/$(VERSION)/all.dep
 else
-	$(TOOLDIR)/makedepf90 $(MODSTRING)  -free $^ > $(OBJDIR)/$(VERSION)/all.dep || ( rm -f $(OBJDIR)/$(VERSION)/all.dep  ; exit 1 )
+	makedepf90 $(MODSTRING)  -free $^ > $(OBJDIR)/$(VERSION)/all.dep || ( rm -f $(OBJDIR)/$(VERSION)/all.dep  ; exit 1 )
 endif
 
 lib.dep: $(LIB1_OBJECTS:.o=.F) $(LIB2_OBJECTS:.o=.F)  $(LIB3_OBJECTS:.o=.F)
-	$(TOOLDIR)/makedepf90 $(MODSTRING)  -free $^ > $(OBJDIR)/$(VERSION)/lib.dep || ( rm -f $(OBJDIR)/$(VERSION)/lib.dep ; exit 1 )
+	makedepf90 $(MODSTRING)  -free $^ > $(OBJDIR)/$(VERSION)/lib.dep || ( rm -f $(OBJDIR)/$(VERSION)/lib.dep ; exit 1 )
 
 # this is kind of a hack, fes depends on files in other directories, hence the -I and the -b.
 fes.dep: $(FESOBJS:.o=.F) 
-	$(TOOLDIR)/makedepf90 -I$(SRCDIR) -b. $(MODSTRING)  -free $^ > $(OBJDIR)/$(VERSION)/fes.dep || ( rm -f $(OBJDIR)/$(VERSION)/fes.dep  ; exit 1 )
+	makedepf90 -I$(SRCDIR) -b. $(MODSTRING)  -free $^ > $(OBJDIR)/$(VERSION)/fes.dep || ( rm -f $(OBJDIR)/$(VERSION)/fes.dep  ; exit 1 )
 
 #
 # and the rules doing the actual work
@@ -263,9 +260,6 @@ $(CP2KSHELL): $(ALL_LIB) cp2k_shell.o
 #
 # these are tools, but their integration in the build is ugly at least (e.g. see dependencies).
 #
-makedepf90:
-	-test -d $(TOOLDIR)/makedepf90-build || cp -r $(TOOLSRC)/makedepf90 makedepf90-build
-	{ cd makedepf90-build ; ./configure --prefix=$(TOOLDIR) --bindir=$(TOOLDIR) ; $(MAKE) VERSION="2.8.8cp2k" ; $(MAKE) install ; }
 
 $(FES): $(FESOBJS)
 	$(LD) $(LDFLAGS) -o $(FES) $(FESOBJS)
diff -up cp2k/tools/do_regtest.r cp2k/tools/do_regtest
--- cp2k/tools/do_regtest.r	2010-09-07 14:47:23.000000000 +0200
+++ cp2k/tools/do_regtest	2010-12-06 23:06:30.000000000 +0100
@@ -351,9 +351,6 @@ if [[ ${quick} != "quick" ]]; then
    else
       echo "make realclean VERSION=${cp2k_version} went fine"
    fi
-else
-  echo "quick testing, no realclean"
-fi 
 
 # *** from here failures are likely to be bugs in cp2k
 echo "-------------------------compiling cp2k-----------------------------------"
@@ -370,6 +367,10 @@ else
 compile_warnings=`grep "Warning:" out | wc | tail -1 |  ${awk} '{print $1}'`
 echo "make VERSION=${cp2k_version} went fine (${compile_warnings} warnings)"
 fi
+
+else
+  echo "quick testing, no realclean"
+fi 
 echo "-------------------------regtesting cp2k----------------------------------"
 
 ###################################################################################

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