Updated Netlib versions (BLAS to 3.6.0, LAPACK to 3.6.1).

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12929 c92efa57-630b-4861-b058-cf58834340f0

Doc/release-notes

@@ -17,6 +17,7 @@ New in 6.0 version:
          with etf_mem true or false.
   * EPW: The test-farm now checks 5 representative examples and the associated
          accuracy
+  * Netlib BLAS and LAPACK updated, easy to update going forward
 
 Fixed in 6.0 version:
 

install/configure

@@ -10080,7 +10080,7 @@ fi
 # or internal lapack esplicitly required
 
 if test "$have_lapack" -eq 0 -o "$use_internal_lapack" -eq 1 ; then
-    lapack_libs="$topdir/lapack-3.2/lapack.a"
+    lapack_libs="$topdir/LAPACK/liblapack.a"
     lapack_libs_switch="internal"
 else
     if test "$have_essl" -eq 1 -o "$have_atlas" -eq 1 ; then
@@ -10088,7 +10088,7 @@ else
     # atlas: add missing lapack routines so as to complete atlas
     # note that some compilers do not like to have multiple symbols
     # OBSOLETE
-      lapack_libs="$lapack_libs $topdir/lapack-3.2/lapack.a"
+      lapack_libs="$lapack_libs $topdir/LAPACK/liblapack.a"
       lapack_libs_switch="internal"
     else
       lapack_libs_switch="external"

install/extlibs_makefile

@@ -5,6 +5,17 @@
 #
 include ../make.inc
 
+#.NOTPARALLEL: liblapack_internal libblas_internal
+
+# NETLIB targets
+BLAS_NETLIB=blas-3.6.0.tgz
+BLAS_NETLIB_NAME=BLAS-3.6.0
+BLAS_NETLIB_URL=http://www.netlib.org/blas/${BLAS_NETLIB}
+
+LAPACK_NETLIB=lapack-3.6.1.tgz
+LAPACK_NETLIB_NAME=lapack-3.6.1
+LAPACK_NETLIB_URL=http://www.netlib.org/lapack/${LAPACK_NETLIB}
+
 #
 # MAIN target
 #
@@ -14,7 +25,6 @@ all:
 	$(MAKE) libelpa_internal 
 	$(MAKE) libiotk 
 
-# BLAS
 libblas : libblas_$(BLAS_LIBS_SWITCH)
 
 libblas_external : fake_blas_external
@@ -25,14 +35,14 @@ fake_blas_external :
 
 libblas_internal:
 	if test ! -d ../BLAS; then \
-	( gzip -dc ../archive/blas-1.tar.gz |(cd ../; tar -xvf -)); fi
+	( gzip -dc ../archive/${BLAS_NETLIB} | \
+		(cd ../; tar -xvf -; ln -s ${BLAS_NETLIB_NAME} BLAS)); fi
 	if test -e make_blas.inc; then \
 	(cp make_blas.inc ../BLAS/make.inc; \
-	cd ../BLAS; $(MAKE) $(BLASLIB)); else \
+	cd ../BLAS; $(MAKE) ); else \
         (echo "no configuration file found for blas"; \
-	echo "run configure from main QE dir"); fi
+	echo "run configure from main QE dir"; exit); fi
 
-# LAPACK
 liblapack : liblapack_$(LAPACK_LIBS_SWITCH) 
 
 liblapack_external : fake_lapack_external
@@ -42,15 +52,14 @@ fake_lapack_external :
 	-rm fake_liblapack.a
 
 liblapack_internal:
-	if test ! -d ../lapack-3.2; then \
-	( gzip -dc ../archive/lapack-3.2.tar.gz | (cd ../; tar -xvf -)); fi
+	if test ! -d ../LAPACK; then \
+	( gzip -dc ../archive/${LAPACK_NETLIB} | \
+		(cd ../; tar -xvf -; ln -s ${LAPACK_NETLIB_NAME} LAPACK)); fi
 	if test -e make_lapack.inc; then \
-	(cp make_lapack.inc ../lapack-3.2/make.inc; \
-	cp Makefile_lapack ../lapack-3.2/SRC/Makefile; \
-        cp Makefile_lapack_testing_lin ../lapack-3.2/TESTING/LIN/Makefile; \
-	cd ../lapack-3.2; $(MAKE) lapacklib); else \
+	(cp make_lapack.inc ../LAPACK/make.inc; \
+	cd ../LAPACK; $(MAKE) lapacklib); else \
         (echo "no configuration file found for lapack"; \
-        echo "run configure from main QE dir"); fi
+        echo "run configure from main QE dir"; exit); fi
 libiotk:
 	if test ! -d ../S3DE; then \
 	(gzip -dc ../archive/iotk-1.2.beta.tar.gz | (cd ../; tar -xvf -)) ; \
@@ -86,11 +95,11 @@ libelpa_enabled:
 blas_clean:
 	if test -d ../BLAS; then (cd ../BLAS; $(MAKE) clean); fi
 blas_veryclean:
-	if test -d ../BLAS; then (rm -R -f ../BLAS); fi
+	if test -d ../BLAS; then (rm -R -f ../BLAS ../${BLAS_NETLIB_NAME}); fi
 lapack_clean:
-	if test -d ../lapack-3.2; then (cd ../lapack-3.2; $(MAKE) clean); fi
+	if test -d ../LAPACK; then (cd ../LAPACK; $(MAKE) clean); fi
 lapack_veryclean:
-	if test -d ../lapack-3.2; then (rm -R -f ../lapack-3.2); fi
+	if test -d ../LAPACK; then (rm -R -f ../LAPACK ../${LAPACK_NETLIB_NAME}); fi
 elpa_clean:
 	if test -d ../ELPA; then (cd ../ELPA; $(MAKE) clean); fi
 elpa_veryclean:

install/m4/x_ac_qe_lapack.m4

@@ -141,7 +141,7 @@ fi
 # or internal lapack esplicitly required
 
 if test "$have_lapack" -eq 0 -o "$use_internal_lapack" -eq 1 ; then
-    lapack_libs="$topdir/lapack-3.2/lapack.a"
+    lapack_libs="$topdir/LAPACK/liblapack.a"
     lapack_libs_switch="internal"
 else
     if test "$have_essl" -eq 1 -o "$have_atlas" -eq 1 ; then
@@ -149,7 +149,7 @@ else
     # atlas: add missing lapack routines so as to complete atlas
     # note that some compilers do not like to have multiple symbols
     # OBSOLETE
-      lapack_libs="$lapack_libs $topdir/lapack-3.2/lapack.a"
+      lapack_libs="$lapack_libs $topdir/LAPACK/liblapack.a"
       lapack_libs_switch="internal"
     else
       lapack_libs_switch="external"

install/make_lapack.inc.in

@@ -1,32 +1,34 @@
-# @configure_input@
-# -*- Makefile -*-
 ####################################################################
 #  LAPACK make include file.                                       #
-#  LAPACK, Version 3.2                                             #
-#  November 2008                                                   #
+#  LAPACK, Version 3.6.1                                           #
+#  June 2016                                                       #
 ####################################################################
 #
-# See the INSTALL/ directory for more examples.
-#
 SHELL = /bin/sh
-#
-#  The machine (platform) identifier to append to the library names
-#
-PLAT =
 #  
 #  Modify the FORTRAN and OPTS definitions to refer to the
 #  compiler and desired compiler options for your machine.  NOOPT
 #  refers to the compiler options desired when NO OPTIMIZATION is
-#  selected.  Define LOADER and LOADOPTS to refer to the loader
-#  and desired load options for your machine.
+#  selected.  Define LOADER and LOADOPTS to refer to the loader and 
+#  desired load options for your machine.
+#
+#  Note: During a regular execution, LAPACK might create NaN and Inf
+#  and handle these quantities appropriately. As a consequence, one 
+#  should not compile LAPACK with flags such as -ffpe-trap=overflow.
 #
 FORTRAN  = @f77@
 OPTS     = @fflags@
-DRVOPTS  = @fflags@
+DRVOPTS  = $(OPTS)
 NOOPT    = @fflags_noopt@
 LOADER   = @ld@
 LOADOPTS = @ldflags@
 #
+#  Comment out the following line to include deprecated routines to the
+#  LAPACK library.
+#
+MAKEDEPRECATED = Yes
+BUILD_DEPRECATED = Yes
+#
 # Timer for the SECOND and DSECND routines
 #
 # Default : SECOND and DSECND will use a call to the EXTERNAL FUNCTION ETIME
@@ -36,23 +38,29 @@ LOADOPTS = @ldflags@
 # For gfortran compiler: SECOND and DSECND will use a call to the INTERNAL FUNCTION ETIME
 # TIMER    = INT_ETIME
 # If your Fortran compiler does not provide etime (like Nag Fortran Compiler, etc...)
-# SECOND and DSECND will use a call to the Fortran standard INTERNAL FUNCTION CPU_TIME 
+# SECOND and DSECND will use a call to the INTERNAL FUNCTION CPU_TIME
 TIMER    = INT_CPU_TIME
 # If neither of this works...you can use the NONE value... In that case, SECOND and DSECND will always return 0
 # TIMER     = NONE
 #
+#  Configuration LAPACKE: Native C interface to LAPACK
+#  To generate LAPACKE library: type 'make lapackelib'
+#  Configuration file: turned off (default)
+#  Complex types: C99 (default)
+#  Name pattern: mixed case (default)
+#  (64-bit) Data model: LP64 (default)
+#
+# CC is the C compiler, normally invoked with options CFLAGS.
+#
+CC = @cc@
+CFLAGS = @cflags@
+#
 #  The archiver and the flag(s) to use when building archive (library)
 #  If you system has no ranlib, set RANLIB = echo.
 #
 ARCH     = @ar@
 ARCHFLAGS= @arflags@
-RANLIB   = @ranlib@
-#
-#  The location of BLAS library for linking the testing programs.
-#  The target's machine-specific, optimized BLAS library should be
-#  used whenever possible.
-#
-BLASLIB      = @blas_libs@
+RANLIB   =  @ranlib@
 #
 #  Location of the extended-precision BLAS (XBLAS) Fortran library
 #  used for building and testing extended-precision routines.  The
@@ -63,9 +71,12 @@ BLASLIB      = @blas_libs@
 XBLASLIB     =
 # XBLASLIB    = -lxblas
 #
-#  Names of generated libraries.
+#  The location of the libraries to which you will link.  (The 
+#  machine-specific, optimized BLAS library should be used whenever
+#  possible.)
 #
-LAPACKLIB    = lapack$(PLAT).a
-TMGLIB       = tmglib$(PLAT).a
-EIGSRCLIB    = eigsrc$(PLAT).a
-LINSRCLIB    = linsrc$(PLAT).a
+BLASLIB      =  @blas_libs@
+CBLASLIB     = ../../libcblas.a
+LAPACKLIB    = liblapack.a
+TMGLIB       = libtmglib.a
+LAPACKELIB   = liblapacke.a