Bugs:

- In k_lattice. This is an old issue related to the search of the unit vectors of the BZ grid. I already had changed this part in 2010 but, apparently, it does not work always, like in the surface case of the Fantastic Dimensions tutorial. Therefore I decided to merge the old and new method in a new procedure that, hopefully, will work always. Additions: - Possibility to link FFT different from FFTW for example MKL one see http://www.yambo-code.org/doc/compiling.php Changes: - GLOBAL COPYRIGHT YEAR RANGE change - Various typos fixed - Partial Fix of optical calculations using shifted grids. Eps0 calculated with the shifted grids agree with the calculation with the non-local part of the pseudo. There is still a large prefactor (~70) I could not find the reason of. Also the generation of the grids by ypp has been changed. *** this piece of code is still to test and improve ***
yambo-code · Feb 17, 2017 · 02e0bab · 02e0bab
1 parent 0c136e6
commit 02e0bab
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diff --git a/config/Makefile.in b/config/Makefile.in
@@ -1,5 +1,5 @@
 #
-# Copyright (C) 2000-2010 A. Marini and the YAMBO team
+# Copyright (C) 2000-2012 A. Marini and the YAMBO team
 #              http://www.yambo-code.org
 #
 # This file is distributed under the terms of the GNU
@@ -59,7 +59,7 @@ MAIN_LIBS    = $(BASIC_LIBS) coulomb bz_ops qp_ctl setup interface \
 #
 # Interfaces
 #
-2YLIBS       = external_c modules parser communicate common io 
+2YLIBS       = external_c modules parser communicate common io bz_ops
 #
 # YPP
 #

diff --git a/config/acx.m4 b/config/acx.m4
@@ -1,7 +1,7 @@
 #
 # Copyright (C) 2002 M. Marques, A. Castro, A. Rubio, G. Bertsch
 #
-# Copyright (C) 2000-2010 A. Marini and the YAMBO team
+# Copyright (C) 2000-2012 A. Marini and the YAMBO team
 #              http://www.yambo-code.org
 #
 # This file is distributed under the terms of the GNU

diff --git a/config/acx_cpp.m4 b/config/acx_cpp.m4
@@ -1,5 +1,5 @@
 #
-# Copyright (C) 2000-2010 A. Marini and the YAMBO team
+# Copyright (C) 2000-2012 A. Marini and the YAMBO team
 #              http://www.yambo-code.org
 #
 # This file is distributed under the terms of the GNU

diff --git a/config/acx_fortran_flags.m4 b/config/acx_fortran_flags.m4
@@ -1,5 +1,5 @@
 #
-# Copyright (C) 2000-2010 A. Marini and the YAMBO team
+# Copyright (C) 2000-2012 A. Marini and the YAMBO team
 #              http://www.yambo-code.org
 #
 # This file is distributed under the terms of the GNU

diff --git a/config/acx_get_fc_version.m4 b/config/acx_get_fc_version.m4
@@ -1,5 +1,5 @@
 #
-# Copyright (C) 2000-2010 A. Marini and the YAMBO team
+# Copyright (C) 2000-2012 A. Marini and the YAMBO team
 #              http://www.yambo-code.org
 #
 # This file is distributed under the terms of the GNU

diff --git a/config/acx_mpi.m4 b/config/acx_mpi.m4
@@ -2,7 +2,7 @@
 # Original version Available from the GNU Autoconf Macro Archive at:
 # http://autoconf-archive.cryp.to/macros-by-category.html
 #
-# Copyright (C) 2000-2010 A. Marini and the YAMBO team
+# Copyright (C) 2000-2012 A. Marini and the YAMBO team
 #              http://www.yambo-code.org
 #
 # This file is distributed under the terms of the GNU

diff --git a/config/acx_report.m4 b/config/acx_report.m4
@@ -1,5 +1,5 @@
 #
-# Copyright (C) 2000-2010 A. Marini and the YAMBO team
+# Copyright (C) 2000-2012 A. Marini and the YAMBO team
 #              http://www.yambo-code.org
 #
 # This file is distributed under the terms of the GNU

diff --git a/config/configure.ac b/config/configure.ac
@@ -1,5 +1,5 @@
 #
-# Copyright (C) 2000-2010 A. Marini and the YAMBO team
+# Copyright (C) 2000-2012 A. Marini and the YAMBO team
 #              http://www.yambo-code.org
 #
 # This file is distributed under the terms of the GNU
@@ -19,11 +19,11 @@
 # Software Foundation, Inc., 59 Temple Place - Suite 330,Boston,
 # MA 02111-1307, USA or visit http://www.gnu.org/copyleft/gpl.txt.
 #
-AC_INIT(Yambo, 3.2.4 r.855 , [email protected])
+AC_INIT(Yambo, 3.2.5 r.1015 , [email protected])
 SVERSION="3"
 SPATCHLEVEL="2"
-SSUBLEVEL="4"
-SREVISION="855"
+SSUBLEVEL="5"
+SREVISION="1015"
 AC_SUBST(SVERSION)
 AC_SUBST(SPATCHLEVEL)
 AC_SUBST(SSUBLEVEL)

diff --git a/config/fftw.m4 b/config/fftw.m4
@@ -1,5 +1,5 @@
 #
-# Copyright (C) 2000-2010 A. Marini and the YAMBO team
+# Copyright (C) 2000-2012 A. Marini and the YAMBO team
 #              http://www.yambo-code.org
 #
 # This file is distributed under the terms of the GNU
@@ -22,24 +22,55 @@
 AC_DEFUN([AC_HAVE_FFTW],[
 AC_ARG_WITH(fftw,AC_HELP_STRING([--with-fftw=<path>],
             [Path of the FFTW library directory]),[],[])
+AC_ARG_WITH(fftw_lib,AC_HELP_STRING([--with-fftw-lib=<lib>],
+            [FFTW library name]),[],[])
 AC_MSG_CHECKING([for FFTW])
-FFTW_LIBS="-lfftw3"
 FFTW_PATH=""
 case $with_fftw in
   no )
     FFTW_LIBS=""
     ;;
-  "" ) ;;
-  *)
+  "" | * ) 
     FFTW_PATH="-L$with_fftw"
     ;;
 esac
 save_ldflags="$LDFLAGS"
-AS_IF([test "$FFTW_LIBS"], [LIBS="${FFTW_PATH} ${FFTW_LIBS}"])
-AC_LINK_IFELSE([AC_LANG_CALL([], [dfftw_destroy_plan(1)])],
- [HAVE_FFTW="yes"; FFT_CPP="-D_FFTW";
- FFT_DESCRIPTION="FFTW Fast Fourier transform";LDFLAGS="$FFTW_PATH"],
- [HAVE_FFTW="no"; FFT_CPP=""; FFTW_LIBS="";LDFLAGS="$save_ldflags"])
+
+case $with_fftw_lib in
+  no | "" )
+    EXTERNAL_FFTW="-lfftw3";
+  ;;
+  *)
+    EXTERNAL_FFTW="$with_fftw_lib";
+  ;;
+esac
+
+if test -d "$with_fftw" ; then
+  for FFTW_LIBS in "$EXTERNAL_FFTW" ; do      
+    AS_IF([test "$FFTW_LIBS"], [LIBS="${FFTW_PATH} ${FFTW_LIBS}"])
+    AC_LINK_IFELSE([AC_LANG_CALL([], [dfftw_destroy_plan(1)])],
+    [HAVE_FFTW="yes";],[HAVE_FFTW="no";])
+    if test "$HAVE_FFTW" = "yes" ; then
+      break;
+    fi
+  done
+  if test "$HAVE_FFTW" = "yes" ; then
+    FFT_CPP="-D_FFTW"
+    if test "$FFTW_LIBS" = "-lfftw3" ; then
+      FFT_DESCRIPTION="FFTW Fast Fourier transform";
+    else 
+      FFT_DESCRIPTION="External Fast Fourier transform";
+    fi
+    LDFLAGS="$FFTW_PATH";
+  else
+    FFT_CPP=""; 
+    FFTW_LIBS="";
+    LDFLAGS="$save_ldflags";
+  fi
+else
+ HAVE_FFTW="no";
+fi
+
 AC_MSG_RESULT($HAVE_FFTW)
 if test "$HAVE_FFTW" = "no" ; then
 # SG FFT NCACHE 

diff --git a/config/netcdf_f90.m4 b/config/netcdf_f90.m4
@@ -2,7 +2,7 @@
 # autoconf macro for detecting NetCDF module file
 # from http://www.arsc.edu/support/news/HPCnews/HPCnews249.shtml
 #
-# Copyright (C) 2000-2010 A. Marini and the YAMBO team
+# Copyright (C) 2000-2012 A. Marini and the YAMBO team
 #              http://www.yambo-code.org
 #
 # This file is distributed under the terms of the GNU
@@ -125,15 +125,15 @@ if test "x$netcdf" = xyes; then
 fi
 
 if test "x$netcdf" = xyes; then  
-     if test "`nc-config --flibs`"; then
-       NCLIBS="`nc-config --flibs`"
-       NCLIBS="${NCLIBS} `nc-config --libs`"
-     else
-       NCLIBS="-lnetcdf ${NCLIBS}"
-     fi
-     if test "x$hdf5" = xyes; then
-       NCLIBS="${NCLIBS} ${NETCDF_LINKS}"
-     fi
+  if test "`nc-config --flibs`"; then
+    NCLIBS="`nc-config --flibs`"
+    NCLIBS="${NCLIBS} `nc-config --libs`"
+  else
+    NCLIBS="-lnetcdf ${NCLIBS}"
+  fi
+  if test "x$hdf5" = xyes; then
+    NCLIBS="${NCLIBS} ${NETCDF_LINKS}"
+  fi
 fi
 
 AC_SUBST(NCLIBS)