Merge branch '5.3' into tech-isolv-bse

yambo-code · Dec 11, 2024 · b8c1c16 · b8c1c16
2 parents 04bbd27 + f4ffae3
commit b8c1c16
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Showing 33 changed files with 154 additions and 351 deletions.
diff --git a/Makefile b/Makefile
@@ -33,25 +33,25 @@ help:
 changelog:
 	./sbin/gitchangelog.py > ChangeLog
 interfaces:
-	@for target in $(INTERFCS) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
+	@for target in $(INTERFCS) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
 gpl:
-	@for target in $(GPL)      ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
+	@for target in $(GPL)      ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
 core:
-	@for target in $(CORE)     ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
+	@for target in $(CORE)     ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
 ph-project:
-	@for target in $(PH_PROJ)  ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
+	@for target in $(PH_PROJ)  ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
 sc-project:
-	@for target in $(SC_PROJ)  ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
+	@for target in $(SC_PROJ)  ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
 mag-project: 
-	@for target in $(MAG_PROJ) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
+	@for target in $(MAG_PROJ) ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
 rt-project:
-	@for target in $(RT_PROJ)  ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
+	@for target in $(RT_PROJ)  ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
 nl-project: 
-	@for target in $(NL_PROJ)  ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
+	@for target in $(NL_PROJ)  ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
 main:
-	@for target in $(MAIN)     ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
+	@for target in $(MAIN)     ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
 all:
-	@for target in $(ALL)      ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; break;fi ; done
+	@for target in $(ALL)      ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
 ext-libs:
 	@for target in $(EXT_LIBS) ; do if ! test "$$target" = Ydriver; then $(MAKE) $(MAKEFLAGS) $$target; fi; done
 int-libs:

diff --git a/config/m4/acx_fortran_flags.m4 b/config/m4/acx_fortran_flags.m4
@@ -78,7 +78,7 @@ i?86*linux*)
     NETCDFFLAGS="-DgFortran"
     DEBUG_FLAGS="-Og -g -Wall -pedantic -fbounds-check -ffpe-trap=invalid,zero,overflow"
     ;;
-  *ifort*)
+  *ifort* | *ifx* )
     OMPFLAGS="-openmp"
     NETCDFFLAGS="-DpgiFortran"
     CPU_FLAG=""
@@ -88,7 +88,7 @@ i?86*linux*)
        CPU_FLAG="-xHost"
        #CPU_FLAG=" "
        ;;
-      *2021* )
+      *2021* | *2022* | *2023* | *2024* | *2025* )
        CPU_FLAG=" "
        OMPFLAGS="-qopenmp -parallel"
        FCMFLAG="-nofor-main"
@@ -104,7 +104,7 @@ i?86*linux*)
        CPU_FLAG=" "
        ;;
     esac
-    SYSFLAGS="-assume bscc -O3 -g -ip $CPU_FLAG"
+    SYSFLAGS="-assume bscc -O2 -g $CPU_FLAG"
     FUFLAGS="-assume bscc -O0 $CPU_FLAG"
     DEBUG_FLAGS="-check all -CB -traceback -check bound"
   ;;
@@ -166,7 +166,7 @@ i?86*linux*)
        CPU_FLAG="-mtune=pentium4"
        ;;
     esac
-    SYSFLAGS="-assume bscc -O3 -g -ip ${CPU_FLAG}"
+    SYSFLAGS="-assume bscc -O3 -g ${CPU_FLAG}"
     FUFLAGS="-assume bscc -O0 -g ${CPU_FLAG}"
     FCMFLAG="-nofor_main"
     OMPFLAGS="-openmp"
@@ -243,7 +243,7 @@ ia64*linux* )
        CPU_FLAG=""
        ;;
     esac
-    SYSFLAGS="-assume bscc -O2 -g -ip ${CPU_FLAG}"
+    SYSFLAGS="-assume bscc -O2 -g ${CPU_FLAG}"
     FUFLAGS="-assume bscc -O0 -g ${CPU_FLAG}"
     FCMFLAG="-nofor_main"
     OMPFLAGS="-openmp"
@@ -329,7 +329,7 @@ aarch*linux* | arm*linux* )
     OMPFLAGS="-openmp"
     NETCDFFLAGS="-DpgiFortran"
     ;;
-  *ifort*)
+  *ifort* | *ifx* )
     OMPFLAGS="-openmp"
     CPU_FLAG=""
     FCMFLAG="-nofor_main"
@@ -338,7 +338,7 @@ aarch*linux* | arm*linux* )
        #CPU_FLAG="-xHost"
        CPU_FLAG=" "
        ;;
-      *2020* | *2021* )
+      *2020* | *2021* | *2022* | *2023* | *2024* | *2025* )
        CPU_FLAG=" "
        OMPFLAGS="-qopenmp -parallel"
        FCMFLAG="-nofor-main"
@@ -361,7 +361,7 @@ aarch*linux* | arm*linux* )
        CPU_FLAG=" "
        ;;
     esac
-    SYSFLAGS="-assume bscc -O3 -g -ip ${CPU_FLAG}"
+    SYSFLAGS="-assume bscc -O2 -g ${CPU_FLAG}"
     FUFLAGS="-assume bscc -O0 -g ${CPU_FLAG}"
     NETCDFFLAGS="-DpgiFortran"
     DEBUG_FLAGS="-CB -traceback -debug full"

diff --git a/config/m4/acx_fpp.m4 b/config/m4/acx_fpp.m4
@@ -14,7 +14,7 @@ case "${FC}" in
   #
   #  does not work properly
   #
-  *ifort*)
+  *ifort* | *ifx* )
     if test -z "$FPP";     then FPP="fpp -free -P"; fi
      ;;
   *gfortran | *g95)

diff --git a/config/m4/acx_get_fc_kind.m4 b/config/m4/acx_get_fc_kind.m4
@@ -35,11 +35,7 @@ case "${FC}" in
       FCKIND="intel"
       FCVERSION=`$FC -v 2>&1`
       ;;
-    *ifx*)
-      FCKIND="intel"
-      FCVERSION=`$FC -v 2>&1`
-      ;;
-    *ifort*)
+    *ifort* | *ifx* )
       FCKIND="intel"
       FCVERSION=`$FC -v 2>&1`
       $FC -v >& ver_
@@ -56,6 +52,10 @@ case "${FC}" in
       VER_18=`grep 18. ver_ | wc -l`
       VER_19=`grep 19. ver_ | wc -l`
       VER_2021=`grep 2021. ver_ | wc -l`
+      VER_2022=`grep 2022. ver_ | wc -l`
+      VER_2023=`grep 2023. ver_ | wc -l`
+      VER_2024=`grep 2024. ver_ | wc -l`
+      VER_2025=`grep 2025. ver_ | wc -l`
       if ! test "$VER_8" = "0";  then INTELVERSION="8"  ; fi
       if ! test "$VER_9" = "0";  then INTELVERSION="9"  ; fi
       if ! test "$VER_10" = "0"; then INTELVERSION="10" ; fi
@@ -69,6 +69,10 @@ case "${FC}" in
       if ! test "$VER_18" = "0"; then INTELVERSION="18" ; fi
       if ! test "$VER_19" = "0"; then INTELVERSION="19" ; fi
       if ! test "$VER_2021" = "0"; then INTELVERSION="2021" ; fi
+      if ! test "$VER_2022" = "0"; then INTELVERSION="2022" ; fi
+      if ! test "$VER_2023" = "0"; then INTELVERSION="2023" ; fi
+      if ! test "$VER_2024" = "0"; then INTELVERSION="2024" ; fi
+      if ! test "$VER_2025" = "0"; then INTELVERSION="2025" ; fi
       rm -f ver_
       ;;
     *)

diff --git a/config/m4/acx_mpi.m4 b/config/m4/acx_mpi.m4
@@ -16,11 +16,11 @@ AC_LANG_CASE([C], [
         AC_REQUIRE([AC_PROG_CC])
         AC_ARG_VAR(MPICC,[Parallel C compiler command])
         if test x"$MPICC" = "x" ; then
-          AC_CHECK_PROGS(MPICC_test,$MPICC mpipgicc mpiicc mpicc hcc mpcc mpcc_r mpxlc cmpicc, $CC)
+          AC_CHECK_PROGS(MPICC_test,$MPICC mpipgicc mpiicc mpicc mpiicpx hcc mpcc mpcc_r mpxlc cmpicc, $CC)
         else
           AC_CHECK_FILES($MPICC,
                          [MPICC_test=$MPICC],
-                         [AC_CHECK_PROGS(MPICC_test,$MPICC mpipgicc mpiicc mpicc hcc mpcc mpcc_r mpxlc cmpicc, $CC)])
+                         [AC_CHECK_PROGS(MPICC_test,$MPICC mpipgicc mpiicc mpicc mpiicpx hcc mpcc mpcc_r mpxlc cmpicc, $CC)])
         fi
         MPICC=$MPICC_test
         CC=$MPICC_test
@@ -38,13 +38,13 @@ AC_LANG_CASE([C], [
         if ! test x"$MPIF77" = "x" ; then
           AC_CHECK_FILE($MPIF77,
                          [MPIF77_test=$MPIF77],
-                         [AC_CHECK_PROGS(MPIF77_test,$MPIF77 $MPIFC mpipgifort mpiifort mpifort mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c, $F77)])
+                         [AC_CHECK_PROGS(MPIF77_test,$MPIF77 $MPIFC mpipgifort mpiifort mpifort mpiifx mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c, $F77)])
         elif ! test x"$MPIFC" = "x" ; then
           AC_CHECK_FILE($MPIFC,
                          [MPIF77_test=$MPIFC],
-                         [AC_CHECK_PROGS(MPIF77_test,$MPIF77 $MPIFC mpipgifort mpiifort mpifort mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c, $F77)])
+                         [AC_CHECK_PROGS(MPIF77_test,$MPIF77 $MPIFC mpipgifort mpiifort mpifort mpiifx mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c, $F77)])
         else
-          AC_CHECK_PROGS(MPIF77_test,$MPIF77 $MPIFC mpipgifort mpiifort mpifort mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c, $F77)
+          AC_CHECK_PROGS(MPIF77_test,$MPIF77 $MPIFC mpipgifort mpiifort mpifort mpiifx mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c, $F77)
         fi
         MPIF77=$MPIF77_test
         F77=$MPIF77_test
@@ -53,11 +53,11 @@ AC_LANG_CASE([C], [
         AC_REQUIRE([AC_PROG_FC])
         AC_ARG_VAR(MPIFC,[Parallel Fortran compiler command])
         if test x"$MPIFC" = "x" ; then
-          AC_CHECK_PROGS(MPIFC_test,$MPIFC mpipgifort mpiifort mpifort mpif90 mpxlf90 mpxlf mpf90 mpxlf95 mpxlf_r, $FC)
+          AC_CHECK_PROGS(MPIFC_test,$MPIFC mpipgifort mpiifort mpifort mpif90 mpiifx mpxlf90 mpxlf mpf90 mpxlf95 mpxlf_r, $FC)
         else
           AC_CHECK_FILE($MPIFC,
                         [MPIFC_test=$MPIFC],
-                        [AC_CHECK_PROGS(MPIFC_test,$MPIFC mpipgifort mpiifort mpifort mpif90 mpxlf90 mpxlf mpf90 mpxlf95 mpxlf_r, $FC)])
+                        [AC_CHECK_PROGS(MPIFC_test,$MPIFC mpipgifort mpiifort mpifort mpiifx mpif90 mpxlf90 mpxlf mpf90 mpxlf95 mpxlf_r, $FC)])
         fi
         MPIFC=$MPIFC_test
         FC=$MPIFC_test

diff --git a/config/m4/device_xlib.m4 b/config/m4/device_xlib.m4
@@ -1,7 +1,7 @@
 #
 #
 #        Copyright (C) 2000-2021 the YAMBO team
-#              http://www.yambo-code.org
+#              http://www.yambo-code.eu
 #
 # Authors (see AUTHORS file for details): DS
 #

diff --git a/config/m4/gpu.m4 b/config/m4/gpu.m4
@@ -1,6 +1,6 @@
 #
 #        Copyright (C) 2000-2021 the YAMBO team
-#              http://www.yambo-code.org
+#              http://www.yambo-code.eu
 #
 # Authors (see AUTHORS file for details): AF
 #

diff --git a/config/m4/libcuda.m4 b/config/m4/libcuda.m4
@@ -1,7 +1,7 @@
 #
 #
 #        Copyright (C) 2000-2021 the YAMBO team
-#              http://www.yambo-code.org
+#              http://www.yambo-code.eu
 #
 # Authors (see AUTHORS file for details): DS
 #

diff --git a/config/mk/global/no_configure_help.mk b/config/mk/global/no_configure_help.mk
@@ -15,7 +15,7 @@
  $(info )
  $(info More help on how to use and tune the configure script options can be found on the wiki webpage:)
  $(info )
- $(info http://www.yambo-code.org/wiki/index.php?title=Installation)
+ $(info http://www.yambo-code.eu/wiki/index.php?title=Installation)
  $(info )
  $(info * * *  Yambo Libraries * * *)
  $(info )