path: root/sci-chemistry/ccp4-apps/files/6.1.3-lapack.patch

diff --git a/configure b/configure
index 833f483..bcfa62d 100755
--- a/configure
+++ b/configure
@@ -3226,574 +3226,14 @@ else
   echo
   echo "Warning: this option has not been extensively tested!"
   echo "Please report problems to ccp4@ccp4.ac.uk"
-  # Search for vendor LAPACK/BLAS first
-  if test ! "$with_netlib_lapack" ; then
-    # Initialise variables to blank
-    lapackdir=
-    XLAPACK_LIB=
-    # Possible directories to check for vendor or pre-existing LAPACK or
-    # BLAS - add to these if you want to test others
-    trydirs="`echo $LD_LIBRARY_PATH |sed -e s/:/\ /g` /lib /usr/lib /usr/local/lib"
-    # Possible library names
-    # These are the names like xxxx where the library will be libxxxx.a
-    # or libxxxx.so
-    echo
-    echo "Guessing names for native/vendor LAPACK and/or BLAS libraries"
-    echo "on this system"
-    case $system in
-      linux | linux64 | linux32 )
-        # linux users will usually have them in /usr/lib but don't call it
-        trylapack="lapack"
-        tryblas="blas"
-        # if code is non_shared then this can lead to problems. both blas and lapack
-        # need to be resolved even if they are not called!
-        if test "$non_shared" = yes; then
-          echo "You are compiling linux non_shared. This sometimes causes problems "
-          echo "  so checking for requirements." 
-          echo "Checking: try to link library against test program"
-          if test -f testlink.f || test -f testlink ; then
-            rm -f testlink*
-          fi 
-          cat > testlink.f <<EOF
-      PROGRAM TESTLINK
-C A bit of scala code to test the linking
-      real bf(3), bnorm
-c
-      integer maxbmt
-      parameter (maxbmt = 2)
-      double precision B(maxbmt,maxbmt), eigval(maxbmt),
-     $   eigvec(maxbmt,maxbmt), w(5*maxbmt)
-      integer m, ia, ix, istat
-c
-      B(1,1) = 1.00
-      B(1,2) = 1.00
-      B(2,1) = 1.00
-      B(2,2) = 1.00
-c
-      m = maxbmt
-      ia = maxbmt
-      ix = maxbmt
-      call dsyev('N', 'L', m, B, ia, eigval, w, 5*maxbmt, istat)
-      end
-EOF
-          #firstly test without -lblas
-          test_compile="$FC $FOPTIM $XFFLAGS -o testlink testlink.f -llapack"
-          echo $test_compile
-          if { (eval $test_compile >& /dev/null ) 2>&1; } && test -s testlink ; then
-            # Compilation was okay
-            echo "... only -llapack needed"
-            XLAPACK_LIB="-llapack"
-            # Set the next two variables so that configure
-            # doesn't try to build netlib libraries
-            LAPACKLIB="lapack"
-            noblas=yes
-            trylapack=
-            tryblas=
-          else
-	    echo "more than just -llapack needed...."
-            test_compile="$FC $FOPTIM $XFFLAGS -o testlink testlink.f -llapack -lblas"
-            echo $test_compile
-            if { (eval $test_compile ) 2>&1; } && test -s testlink ; then
-              # Compilation was okay
-              echo "...-llapack and -lblas were needed"
-              XLAPACK_LIB="-llapack -lblas"
-              # Set the next two variables so that configure
-              # doesn't try to build netlib libraries
-              LAPACKLIB="lapack blas"
-              noblas=no
-              trylapack=
-              tryblas=
-	    else
-              echo "....could not find either lapack or blas."
-	    fi
-          fi
-        fi
-        # add 64 bit libs
-        case $system in
-          linux64 ) trydirs="/usr/lib64 ${trydirs}" ;;
-        esac
-
-        ;;
-      osf1)
-        # OSF1 has dxml (old version) and cxml
-        # which should have both lapack and blas 
-        trylapack="dxml cxml"
-        tryblas=
-        trydirs="${trydirs} /usr/shlib"
-        ;;
-      irix)
-        # Additional search paths for IRIX
-        trydirs="${trydirs} /usr/lib32"
-        # SCSL should have both LAPACK and BLAS
-        trylapack="scs"
-        tryblas="blas"
-        ;;
-      irix64)
-        # Additional search paths for IRIX64
-        trydirs="${trydirs} /usr/lib64"
-        # SCSL should have both LAPACK and BLAS
-        trylapack="scs"
-        tryblas="blas"
-        # Extra compiler flags?
-        #XLAPACKFLAGS="-OPT:IEEE_NaN_inf=ON"
-        ;;
-      aix)
-        # Additional search paths for AIX
-        trydirs="${trydirs}" 
-        # AIX might have ESSL library - blas only I think
-        trylapack=
-        tryblas="essl"
-        ;;
-      hpux)
-        # Additional search paths for HPUX
-        trydirs="${trydirs} /opt/fortran/lib /opt/fortran/lib/pa2.0 /opt/mlib/lib/pa2.0"
-        # HPUX should have both LAPACK (part of mlib) and BLAS
-        trylapack="lapack"
-        tryblas="blas"
-        # Extra compiler flags?
-        # +U77 required for ETIME function - this is already in XFFLAGS
-        #XLAPACKFLAGS="+U77"
-        ;;
-
-      sunos | sunos64)
-        # Sun has libraries with BLAS and LAPACK invoked using
-        # -xlic_lib=sunperf
-        trylapack=
-        tryblas=
-        echo "SunOs can use the Sun Performance Library (if installed)"
-        echo "which has both BLAS and LAPACK 3.0"
-        echo 
-        echo "Looking for a valid library to use..."
-        echo
-	# Loop over the possible library names
-        try_libs="sunperf"
-        for testlib in $try_libs
-        do
-          if test ! "$XLAPACK_LIB" ; then
-            # Try running a test compile to see if this a valid library
-            if test -f testlink.f || test -f testlink ; then
-              rm -f testlink*
-            fi
-            cat > testlink.f <<EOF
-c Test fortran program to link against library
-      PROGRAM TESTLINK
-      IMPLICIT NONE
-      INTEGER A
-      A = 1
-      STOP
-      END
-EOF
-            test_compile="$FC $FOPTIM $XFFLAGS -o testlink testlink.f -dalign -xlic_lib=$testlib"
-            echo $test_compile
-            if { (eval $test_compile ) 2>&1; } && test -s testlink ; then
-              # Compilation was okay
-              echo "... -xlic_lib=$testlib is okay"
-              XLAPACK_LIB="-dalign -xlic_lib=$testlib"
-              # Set the next two variables so that configure
-              # doesn't try to build netlib libraries
-              LAPACKLIB="$testlib"
-              noblas=yes
-            else
-              # Compilation failed
-              echo "... cannot use -xlic_lib=$testlib"
-            fi
-            # End of test for testlib
-          fi
-          # End of loop over possible lib names
-        done
-	# Report if no suitable library was found
-        if test ! "$XLAPACK_LIB" ; then
-          echo
-          echo "No suitable LAPACK library was found."
-          echo "This may be because the Sun Performance Library is not"
-          echo "installed on your system"
-          echo "Contact your system administrator or Sun vendor"
-        fi
-        ;;
-      Darwin | Darwin32 | Darwin64 )
-        # Darwin has libraries with BLAS and LAPACK invoked using 
-        # -framework vecLib
-        echo "Darwin can use the vecLib Library (if installed)"
-        echo "which has both BLAS and LAPACK 3.0"
-        echo
-        # This is a special case so try running a test compile
-        echo "Checking: try to link library against test program"
-        if test -f testlink.f || test -f testlink ; then
-          rm -f testlink*
-        fi
-        cat > testlink.f <<EOF
-c Test fortran program to link against library
-      PROGRAM TESTLINK
-      IMPLICIT NONE     
-      INTEGER A
-      A = 1
-      STOP
-      END
-EOF
-        test_compile="$FC $FOPTIM $XFFLAGS -o testlink testlink.f -framework vecLib"
-        echo $test_compile
-        if { (eval $test_compile ) 2>&1; } && test -s testlink ; then
-          # Compilation was okay
-          echo "... -framework vecLib is okay"
-          XLAPACK_LIB="-framework vecLib"
-          # Set the next two variables so that configure
-          # doesn't try to build netlib libraries
-          LAPACKLIB="vecLib"
-          noblas=yes
-        else
-#alternative linking for vecLib libraries
-          case `uname -sr` in
-            *Darwin\ 7.* ) test_compile="$FC $FOPTIM $XFFLAGS -o testlink testlink.f -lcc_dynamic -Wl,-framework -Wl,vecLib" ;;
-            * ) test_compile="$FC $FOPTIM $XFFLAGS -o testlink testlink.f -Wl,-framework -Wl,vecLib" ;;
-          esac
-
-        echo $test_compile
-        if { (eval $test_compile ) 2>&1; } && test -s testlink ; then
-          # Compilation was okay
-          echo "... -framework vecLib is okay"
-          XLAPACK_LIB="-Wl,-framework -Wl,vecLib"
-          # Set the next two variables so that configure
-          # doesn't try to build netlib libraries
-          LAPACKLIB="-Wl,-framework -Wl,vecLib"
-          noblas=yes
-        else
-          # Compilation failed
-          echo "... cannot use -framework vecLib"
-          echo
-         fi
-        fi
-        trylapack=
-        tryblas=
-# try the fink installation
-        trydirs="${trydirs} /sw"
-        ;;
-      Darwin_ibm_compilers )
-        # Darwin has libraries with BLAS and LAPACK invoked using
-        # -framework vecLib
-        echo "Darwin can use the vecLib Library (if installed)"
-        echo "which has both BLAS and LAPACK 3.0"
-        echo
-        # This is a special case so try running a test compile
-        echo "Checking: try to link library against test program"
-        if test -f testlink.f || test -f testlink ; then
-          rm -f testlink*
-        fi
-        cat > testlink.f <<EOF
-c Test fortran program to link against library
-      PROGRAM TESTLINK
-      IMPLICIT NONE
-      INTEGER A
-      A = 1
-      STOP
-      END
-EOF
-      case `uname -sr` in
-        Darwin\ 8* )
-        XLAPACK_LIB="-L/System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A -lLAPACK -lBLAS"
-        test_compile="$FC $FOPTIM $XFFLAGS -o testlink testlink.f $XLAPACK_LIB"
-        ;;
-        Darwin\ 7* )
-        XLAPACK_LIB="-L/System/Library/Frameworks/Accelerate.framework/Versions/A/Frameworks/vecLib.framework/Versions/A -lLAPACK -lBLAS"
-        test_compile="$FC $FOPTIM $XFFLAGS -o testlink testlink.f -lcc_dynamic $XLAPACK_LIB"
-        ;;
-        *)
-        XLAPACK_LIB="/System/Library/Frameworks/vecLib.Framework/Versions/Current/VecLib"
-        test_compile="$FC $FOPTIM $XFFLAGS -o testlink testlink.f $XLAPACK_LIB"
-        esac
-        echo $test_compile
-        if { (eval $test_compile ) 2>&1; } && test -s testlink ; then
-          # Compilation was okay
-          echo "... -framework vecLib is okay"
-          # Set the next two variables so that configure
-          # doesn't try to build netlib libraries
-          LAPACKLIB="vecLib"
-          noblas=yes
-        else
-          # Compilation failed
-          XLAPACK_LIB=""
-          echo "... cannot use -framework vecLib"
-          echo
-        fi
-        trylapack=
-        tryblas=
-# try the fink installation
-        trydirs="${trydirs} /sw"
-        ;;
-
-      Darwin_intel_compilers)
-        # Darwin has libraries with BLAS and LAPACK invoked using
-        # -F vecLib
-        echo "Darwin can use the vecLib Library (if installed)"
-        echo "which has both BLAS and LAPACK 3.0"
-        echo
-        # This is a special case so try running a test compile
-        echo "Checking: try to link library against test program"
-        if test -f testlink.f || test -f testlink ; then
-          rm -f testlink*
-        fi
-        cat > testlink.f <<EOF
-c Test fortran program to link against library
-      PROGRAM TESTLINK
-      IMPLICIT NONE
-      INTEGER A
-      A = 1
-      STOP
-      END
-EOF
-        test_compile="$FC $FOPTIM $XFFLAGS -o testlink testlink.f -Wl,-framework -Wl,vecLib"
-        echo $test_compile
-        if { (eval $test_compile ) 2>&1; } && test -s testlink ; then
-          # Compilation was okay
-          # doesn't try to build netlib libraries
-          XLAPACK_LIB="-F /System/Library/Frameworks -Qoption,ld,-framework -Qoption,ld,vecLib"
-          LAPACKLIB="vecLib"
-          noblas=yes
-        else
-          # Compilation failed
-          echo "... cannot use -framework vecLib"
-          echo
-         fi
-        trylapack=
-        tryblas=
-# try the fink installation
-        trydirs="${trydirs} /sw"
-        ;;
-
-#       linux_ia64_sgi_altix)
-# SGI Japan
-      ia64_linux_intel) 
-        # Additional search paths for Linux/IA64
-        trydirs="${trydirs} /opt/scsl/lib /usr/lib /usr/local/lib"
-        # SCSL and MKL should have both LAPACK and BLAS
-        trylapack="mkl_lapack scs lapack"
-        tryblas="mkl scs blas"
-        ;;
-      linux_ibm_compilers )
-        trylapack="lapack"
-        tryblas="blas"
-        ;;
-      linux64_ibm_compilers )
-        trydirs="/usr/lib64 ${trydirs}"
-        trylapack="lapack"
-        tryblas="blas"
-        ;;
-      linux_intel_compilers )
-        trydirs="/usr/lib64 ${trydirs}"
-        trylapack="mkl_lapack lapack"
-        tryblas="mkl blas"
-        ;;
-      *)
-        echo "The guesses for this system may not be correct - please"
-        echo "e-mail ccp4@ccp4.ac.uk if you have any extra information"
-	echo
-        # Default guess is just libblas
-        trylapack="lapack"
-        tryblas="blas"
-        ;;
-    esac
-    #
-    # Search for LAPACK libraries
-    #
-    # Write out what the guesses are
-    if test "$trylapack" ; then
-      echo "Possible LAPACK library names for this system:"
-      for libname in $trylapack
-      do
-        echo "   lib$libname"
-      done
-      # Possible library name extensions
-      tryexts="a so dylib"
-      # Now loop over all the possibilities and see if anything
-      # turns up
-      echo
-      echo "Searching for libraries with LAPACK and BLAS:"
-      for testdir in $trydirs
-      do
-        for testlib in $trylapack
-        do
-          for ext in $tryexts
-          do
-            if test ! "$LAPACKLIB"; then
-              if test -s "$testdir/lib$testlib.$ext" ; then
-                echo "...found LAPACK library: $testdir/lib$testlib.$ext"
-                # Now try and link to a test program
-                # This is really for IRIX where libraries can be
-                # o32 or n32
-                echo "   Testing: try to link library against test program"
-                if test -f testlink.f || test -f testlink ; then
-                  rm -f testlink*
-                fi
-                cat > testlink.f <<EOF
-c Test fortran program to link against library
-      PROGRAM TESTLINK
-      IMPLICIT NONE
-      INTEGER A
-      A = 1
-      STOP
-      END
-EOF
-                test_compile="$FC $FOPTIM $XFFLAGS -o testlink testlink.f -L$testdir -l$testlib"
-                test_ccompile="$FC $FOPTIM $XFFLAGS -o testlink testlink.f -L$testdir -l$testlib $XLDFLAGS"
-                echo $test_compile
-                if { (eval $test_compile ) 2>&1; } && test -s testlink ; then
-                  have_lapack=yes
-                else
-# cover clapack option
-                  echo $test_ccompile
-                  if { (eval $test_ccompile ) 2>&1; } && test -s testlink ; then
-                    have_lapack=yes
-                  fi
-                fi
-                if test x$have_lapack = xyes ; then
-                # This one is okay
-                  LAPACKLIB="$testlib"
-                  LAPACKDIR="$testdir"
-                  echo "Link ok - using lib$LAPACKLIB from $LAPACKDIR"
-		  #
-		  XLAPACK_LIB="-L$LAPACKDIR -l$LAPACKLIB"
-                  #
-                  # Test to see if we need BLAS too
-                  # Do this by trying to compile a test program
-                  # Use the LSAME test for now
-                  echo
-                  echo "   * Checking whether we need a separate BLAS library *"
-                  echo "   Testing: try linking library against test program"
-                  cd lib/lapack/test
-                  if test -f testlsame ; then
-                    rm -f testsame testlsame.o
-                  fi
-                  test_compile="$FC $FOPTIM $XFFLAGS -o testlsame lsametst.f -L$LAPACKDIR -l$LAPACKLIB"
-                  test_ccompile="$FC $FOPTIM $XFFLAGS -o testlsame lsametst.f -L$LAPACKDIR -l$LAPACKLIB $XLDFLAGS"
-                  echo $test_compile
-                  if { ( eval $test_compile) 2>&1;} && test -s testlsame ; then
-                    have_blas=yes
-                  else
-#cblas route
-                    echo $test_ccompile
-                    if { ( eval $test_ccompile) 2>&1;} && test -s testlsame ; then
-                      have_blas=yes
-                    fi
-                  fi
-                  if test x$have_blas = xyes ; then
-                    echo "Test program okay - additional separate BLAS not required"
-                    noblas=yes
-                  else
-                    echo "Test program failed - need a separate BLAS library"
-                  fi
-                  cd ../../..
-                else
-                # Keep looking
-                  echo "   link failed - cannot use lib$testlib"
-                fi
-              fi
-            fi
-          done
-        done
-        if test ! "$LAPACKLIB"; then
-          echo "...nothing in $testdir"
-        fi
-      done
-    fi
-
-    # If LAPACKLIB hasn't been set at this point then no LAPACK library
-    # was found 
-    if test ! "$LAPACKLIB" ; then
-      echo
-      echo "No pre-existing LAPACK library found - NetLib LAPACK will be built instead"
-      make_lapack=lapacklib
-    fi
-    # Look for possible BLAS
-    if test ! "$noblas" ; then
-      if test "$tryblas" ; then
-        echo
-        echo "Possible BLAS library names for this system:"
-        for libname in $tryblas
-        do
-          echo "   lib$libname"
-        done
-        # Possible library name extensions
-        tryexts="a so"
-        # Now loop over all the possibilities and see if anything
-        # turns up
-        echo
-        echo "Searching for libraries with BLAS:"
-        for testdir in $trydirs
-        do
-          for testlib in $tryblas
-          do
-            for ext in $tryexts
-            do
-              if test ! "$BLASLIB"; then
-                if test -s "$testdir/lib$testlib.$ext" ; then
-                  echo "...found BLAS library: $testdir/lib$testlib.$ext"
-                  # Now try and link to a test program
-                  # This is really for IRIX where libraries can be
-                  # o32 or n32
-                  echo "   Testing: try to link library against test program"
-                  if test -f testlink.f || test -f testlink ; then
-                    rm -f testlink*
-                  fi
-                  cat > testlink.f <<EOF
-c Test fortran program to link against library
-      PROGRAM TESTLINK
-      IMPLICIT NONE
-      INTEGER A
-      A = 1
-      STOP
-      END
-EOF
-                  test_compile="$FC $FOPTIM $XFFLAGS -o testlink testlink.f -L$testdir -l$testlib"
-                  test_ccompile="$FC $FOPTIM $XFFLAGS -o testlink testlink.f -L$testdir -l$testlib $XLDFLAGS"
-                  echo $test_compile
-                  if { ( eval $test_compile) 2>&1;} && test -s testlink ; then
-                    have_blas=yes
-                  else
-                    echo $test_ccompile
-                    if { ( eval $test_compile) 2>&1;} && test -s testlink ; then
-                      have_blas=yes
-                    fi
-                  fi
-                  if test x$have_blas = xyes ; then
-                    # This one is okay
-                    BLASLIB="$testlib"
-                    BLASDIR="$testdir"
-                    BLASEXT="$ext"
-                    echo "Link ok - using lib$BLASLIB from $BLASDIR"
-		    XLAPACK_LIB="$XLAPACK_LIB -L$BLASDIR -l$BLASLIB"
-                  else
-                  # Keep looking
-                    echo "   link failed - cannot use lib$testlib"
-                  fi
-                fi
-              fi
-            done
-          done
-          if test ! "$BLASLIB"; then
-            echo "...nothing in $testdir"
-          fi
-        done
-      fi
-      # Do we need to build BLAS too?      
-      if test ! "$BLASLIB" ; then
-        echo
-        echo "No pre-existing BLAS library was found - NetLib BLAS will be built instead"
-        echo "This may result in poorer performance of the LAPACK routines"
-        make_blas=blaslib
-        BLASLIB=blas
-        BLASDIR="$srcdir/lib/lapack"
-        BLASEXT="a"
-      fi
-    fi
+  # gentoo is clever
+  make_blas=
+  make_lapack=
+  BLASLIB=$(pkg-config --libs blas)
+  LAPACKLIB=$(pkg-config --libs lapack)
+  XLAPACK_LIB="${BLASLIB} ${LAPACKLIB}"
+  XFFLAGS_LAPACK="$(pkg-config --cflags lapack blas)"
   # Otherwise force building of NetLib BLAS and LAPACK libs
-  else
-    echo
-    echo "! Force building of NetLib BLAS and LAPACK..."
-    make_blas=blaslib
-    make_lapack=lapacklib
-    BLASLIB=blas
-    BLASDIR="$srcdir/lib/lapack"
-    BLASEXT="a"
-  fi
   # need to know if we the lapack library was linked using the C or
   # fortran linker
   if test -f testlink.f || test -f testlink || test -f testlink.c ; then
@@ -3916,8 +3356,8 @@ RANLIB   = ${RANLIB}
 INSTALL_DATA = ${INSTALL_DATA}
 libdir   = $libdir
 #
-BLASLIB     = lib${BLASLIB}.${BLASEXT}
-LAPACKLIB   = liblapack.a
+BLASLIB     = ${BLASLIB}
+LAPACKLIB   = ${LAPACKLIB}
 #
 # These variables define targets in the main Makefile
 blaslib   = ${make_blas}