First HDF5 support -- changes pending

git-svn-id: http://qeforge.qe-forge.org/svn/q-e/trunk/espresso@12850 c92efa57-630b-4861-b058-cf58834340f0

install/configure.ac

@@ -25,7 +25,9 @@ X_AC_QE_ARCH()
 
 # Add all needed -D options to try_dflags
 try_dflags=""
-try_iflags="-I../include"
+
+# "-I../include" is required by IOTK ...
+try_iflags="-I\$(TOPDIR)/include -I../include/"
 
 # Checking archiver...
 X_AC_QE_AR()
@@ -90,7 +92,7 @@ X_AC_QE_SCALAPACK()
 X_AC_QE_ELPA()
 
 # Setting HDF5...
-#X_AC_QE_HDF5()
+X_AC_QE_HDF5()
 
 # Checking SIGNAL...
 X_AC_QE_SIGNAL()

install/configure.msg.in

@@ -10,6 +10,7 @@ The following libraries have been found:
   @scalapack_line@
   @fft_line@
   @mpi_line@
+  @hdf5_line@
   @mass_line@
 Please check if this is what you expect.
 

install/m4/x_ac_qe_hdf5.m4

@@ -0,0 +1,80 @@
+# Copyright (C) 2001-2016 Quantum ESPRESSO Foundation
+
+AC_DEFUN([X_AC_QE_HDF5], [
+
+  AC_MSG_CHECKING([hdf5])
+ 
+AC_ARG_WITH(hdf5,
+   [AS_HELP_STRING([--with-hdf5],
+       [(yes|no|<path>) Use HDF5. Self-compile or a <path> can be specified (default: no)])],
+   [if  test "$withval" = "yes" ; then
+      with_hdf5=1
+   elif  test "$withval" = "no" ; then
+      with_hdf5=0
+   else
+      with_hdf5=2
+      with_hdf5_path="$withval"
+   fi],
+   [with_hdf5=0])
+
+hdf5_libs=""
+hdf5_inc=""
+have_hdf5=0
+hdf5_libs_switch="disabled"
+
+if test "$with_hdf5" -eq 2 ; then
+     hdf5_libs="-L$with_hdf5_path/lib -lhdf5_fortran -lhdf5"
+     try_iflags="$try_iflags -I$with_hdf5_path/include"
+     try_dflags="$try_dflags -D__HDF5"
+fi
+
+if test "$with_hdf5" -eq 1 ; then
+    try_libdirs="/usr/lib64"
+    try_libdirs="$libdirs $try_libdirs $ld_library_path"
+
+    have_hdf5=0
+
+    AC_LANG_POP(Fortran 77)
+    AC_LANG_PUSH(C)
+
+    for dir in none $try_libdirs
+    do
+        # unset ac_cv_search_H5Fcreate ac_cv_search_hdfh 
+        
+        if test "$dir" = "none"
+        then
+            try_loption=
+        else
+            echo $ECHO_N "in $dir: " $ECHO_C
+            try_loption="-L$dir"
+        fi
+        
+        FFLAGS="$test_fflags"
+        LDFLAGS="$test_ldflags $try_loption"
+        LIBS="-lhdf5"
+
+        # Detect the location Fortran module "USE HDF5" is the complex part 
+        # AC_CHECK_HEADER(...)
+
+        AC_SEARCH_LIBS(H5Fcreate, hdf5_fortran, 
+          [hdf5_libs="$try_loption -lhdf5_fortran -lhdf5" have_hdf5=1])
+
+        if test "$ac_cv_search_H5Fcreate" != "no"
+        then break ; fi
+    done
+
+    AC_LANG_POP(C)
+    AC_LANG_PUSH(Fortran 77)
+
+    if test "$have_hdf5" -eq 1 ; then
+        try_iflags="$try_iflags -I$with_hdf5_path/include"
+        try_dflags="$try_dflags -D__HDF5"   
+    fi
+fi
+
+  hdf5_line="HDF5_LIBS=$hdf5_libs"
+
+  AC_SUBST(hdf5_libs)
+  AC_SUBST(hdf5_line)
+  ]
+)

install/make.inc.in

@@ -128,6 +128,9 @@ SCALAPACK_LIBS = @scalapack_libs@
 
 FFT_LIBS       = @fft_libs@
 
+# HDF5 -- experimental
+HFD5_LIB = @hdf5_libs@
+
 # For parallel execution, the correct path to MPI libraries must
 # be specified in MPI_LIBS (except for IBM if you use mpxlf)
 
@@ -152,7 +155,7 @@ RANLIB         = @ranlib@
 FLIB_TARGETS   = all
 
 LIBOBJS        = $(TOPDIR)/clib/clib.a $(TOPDIR)/iotk/src/libiotk.a
-LIBS           = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) $(LD_LIBS)
+LIBS           = $(SCALAPACK_LIBS) $(LAPACK_LIBS) $(FFT_LIBS) $(BLAS_LIBS) $(MPI_LIBS) $(MASS_LIBS) ${HFD5_LIB} $(LD_LIBS)
 
 # wget or curl - useful to download from network
 WGET = @wget@