Coded first version for linking automatically ydiago library from Mu…

…rali Version 5.2.0, Revision 23111, Hash 7456c06 MODIFIED * .gitignore config/configure.ac config/m4/acx_report.m4 config/mk/global/actions/compile_external_libraries.mk config/mk/global/actions/download_external_libraries.mk config/mk/global/defs.mk.in config/report.in config/setup.in configure include/version/version.m4 lib/archive/Makefile.loc lib/archive/git.list.in lib/archive/package.list sbin/compilation/libraries.sh NEW * config/m4/yambo_diago.m4 lib/ydiago/Makefile.loc lib/ydiago/make_ydiago.inc.in Bugs: - Additions: - Changes: - Patch sent by: Davide Sangalli <[email protected]>
yambo-code · Jul 26, 2024 · eb83226 · eb83226
1 parent 7456c06
commit eb83226
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Showing 17 changed files with 244 additions and 19 deletions.
diff --git a/.gitignore b/.gitignore
@@ -60,6 +60,7 @@ include/system/*
 lib/install/make_iotk.inc
 lib/iotk/make.sys
 lib/iotk/make_iotk.inc
+lib/ydiago/make_ydiago.inc
 lib/yambo
 lib/*/*stamp
 lib/*/package-installed
@@ -78,6 +79,7 @@ lib/*/petsc-*
 lib/*/slepc-*
 lib/*/futile*
 lib/*/yaml*
+lib/*/Ydiago*
 lib/hdf5/hdf5*
 lib/external/*
 compile.sh

diff --git a/config/configure.ac b/config/configure.ac
@@ -26,6 +26,7 @@ AC_CONFIG_SRCDIR([driver/yambo.F])
 m4_include([config/m4/yambo_remote_compilation_setup.m4])
 m4_include([config/m4/yambo_specific.m4])
 m4_include([config/m4/yambo_driver.m4])
+m4_include([config/m4/yambo_diago.m4])
 # 
 #  General
 #
@@ -238,6 +239,7 @@ AC_LANG_PUSH(Fortran)
 # ============================================================================
 # Yambo Libs
 AC_YDRIVER
+AC_YDIAGO
 # ============================================================================
 # YDB/YAMBOpy
 ACX_SCRIPTS

diff --git a/config/m4/acx_report.m4 b/config/m4/acx_report.m4
@@ -212,6 +212,9 @@ AC_SUBST(MPI_info)
 #
 # STRIPE [LIB] from paths
 #
+ACX_STRIPE_SUBPATH($YDIAGO_LIBS,"LIB")
+YDIAGO_LIBS_R=$STRIPE
+#
 ACX_STRIPE_SUBPATH($IOTK_LIBS,"LIB")
 IOTK_LIBS_R=$STRIPE
 ACX_STRIPE_SUBPATH($IOTK_INCS,"INC")

diff --git a/config/m4/yambo_diago.m4 b/config/m4/yambo_diago.m4
@@ -0,0 +1,23 @@
+#
+# License-Identifier: GPL
+#
+# Copyright (C) 2016 The Yambo Team
+#
+# Authors (see AUTHORS file for details): AM
+#
+AC_DEFUN([AC_YDIAGO],[
+
+#
+AC_ARG_WITH(ydiago-branch,[AS_HELP_STRING([--with-ydiago-branch=<branch>],[Use the <branch> of the ydiago repository.],[32])],,[with_ydiago_branch=none])
+#
+AC_CONFIG_FILES([lib/ydiago/make_ydiago.inc:lib/ydiago/make_ydiago.inc.in])
+if test x"$with_ydiago_branch" = "xnone"; then
+ ydiago_check="D"; 
+else
+ ydiago_check="G"; 
+fi
+YDIAGO_LIBS="${extlibs_path}/${FCKIND}/${FC}/lib/libydiago.a"
+AC_SUBST(YDIAGO_LIBS)
+AC_SUBST(ydiago_check)
+AC_SUBST(with_ydiago_branch)
+])
diff --git a/config/mk/global/actions/compile_external_libraries.mk b/config/mk/global/actions/compile_external_libraries.mk
@@ -40,3 +40,5 @@ petsc:
 	@if test "$(do_petsc)" = yes ; then LIBS="petsc" ; BASE="lib"; $(MAKE) $(MAKEFLAGS) petsc-dl; $(mk_external_lib); fi
 slepc: petsc
 	@if test "$(do_slepc)" = yes ; then LIBS="slepc" ; BASE="lib"; $(MAKE) $(MAKEFLAGS) slepc-dl; $(mk_external_lib); fi
+Ydiago:
+	@if test "$(do_ydiago)" = yes ; then LIBS="ydiago" ; BASE="lib"; $(MAKE) $(MAKEFLAGS) Ydiago-dl; $(mk_external_lib); fi
diff --git a/config/mk/global/actions/download_external_libraries.mk b/config/mk/global/actions/download_external_libraries.mk
@@ -39,3 +39,5 @@ slepc-dl:
 	@LIB2DO="slepc"; $(get_external_libraries)
 Ydriver-dl: 
 	@LIB2DO="Ydriver"; $(get_external_libraries)
+Ydiago-dl:
+	@LIB2DO="Ydiago"; $(get_external_libraries)
diff --git a/config/mk/global/defs.mk.in b/config/mk/global/defs.mk.in
@@ -32,6 +32,7 @@ do_e2y      = @compile_e2y@
 do_libxc    = @compile_libxc@
 do_petsc    = @compile_petsc@
 do_slepc    = @compile_slepc@
+do_ydiago   = yes
 shell       = @SHELL@
 package_bugreport = @PACKAGE_BUGREPORT@
 prefix      = @prefix@

diff --git a/config/report.in b/config/report.in
@@ -64,6 +64,7 @@
 # > OTHERs
 #
 # [@Ydriver_check@] Ydriver   : @Ydriver_LIB@
+# [@ydiago_check@] Ydiago    : @YDIAGO_LIBS_R@
 #
 # [@LIBXC_check@] LibXC     : @LIBXC_LIBS_R@
 #                 @LIBXC_INCS_R@

diff --git a/config/setup.in b/config/setup.in
@@ -88,6 +88,7 @@ lfutile     = @FUTILE_LIBS@
 ifutile     = @FUTILE_INCS@
 letsf       = @ETSF_LIBS@
 ietsf       = @ETSF_INCS@
+lydiago     = @YDIAGO_LIBS@
 idriver     = @DRIVER_INCS@
 mpipath     = @MPI_PATH@
 #

diff --git a/configure b/configure
@@ -1,6 +1,6 @@
 #! /bin/sh
 # Guess values for system-dependent variables and create Makefiles.
-# Generated by GNU Autoconf 2.71 for Yambo 5.2.0 r.23096 h.f147e08b32.
+# Generated by GNU Autoconf 2.71 for Yambo 5.2.0 r.23111 h.7456c06ea5.
 #
 # Report bugs to <[email protected]>.
 #
@@ -610,8 +610,8 @@ MAKEFLAGS=
 # Identity of this package.
 PACKAGE_NAME='Yambo'
 PACKAGE_TARNAME='yambo'
-PACKAGE_VERSION='5.2.0 r.23096 h.f147e08b32'
-PACKAGE_STRING='Yambo 5.2.0 r.23096 h.f147e08b32'
+PACKAGE_VERSION='5.2.0 r.23111 h.7456c06ea5'
+PACKAGE_STRING='Yambo 5.2.0 r.23111 h.7456c06ea5'
 PACKAGE_BUGREPORT='[email protected]'
 PACKAGE_URL=''
 
@@ -808,6 +808,9 @@ internal_blas
 FLIBS
 YDB_dir
 GIT
+with_ydiago_branch
+ydiago_check
+YDIAGO_LIBS
 with_ydriver_branch
 DRIVER_INCS
 Ydriver_check
@@ -964,6 +967,7 @@ with_mpi_path
 with_mpi_libdir
 with_mpi_includedir
 with_ydriver_branch
+with_ydiago_branch
 enable_ydb
 with_blas_libs
 enable_int_linalg
@@ -1600,7 +1604,7 @@ if test "$ac_init_help" = "long"; then
   # Omit some internal or obsolete options to make the list less imposing.
   # This message is too long to be a string in the A/UX 3.1 sh.
   cat <<_ACEOF
-\`configure' configures Yambo 5.2.0 r.23096 h.f147e08b32 to adapt to many kinds of systems.
+\`configure' configures Yambo 5.2.0 r.23111 h.7456c06ea5 to adapt to many kinds of systems.
 
 Usage: $0 [OPTION]... [VAR=VALUE]...
 
@@ -1666,7 +1670,7 @@ fi
 
 if test -n "$ac_init_help"; then
   case $ac_init_help in
-     short | recursive ) echo "Configuration of Yambo 5.2.0 r.23096 h.f147e08b32:";;
+     short | recursive ) echo "Configuration of Yambo 5.2.0 r.23111 h.7456c06ea5:";;
    esac
   cat <<\_ACEOF
 
@@ -1732,6 +1736,7 @@ Optional Packages:
   --with-mpi-includedir=<path>  Path to the MPI include directory
   --with-ydriver-branch=<branch>
                                 Use the <branch> of the ydriver repository.
+  --with-ydiago-branch=<branch> Use the <branch> of the ydiago repository.
   --with-blas-libs=<libs>       Use BLAS libraries <libs>
   --with-lapack-libs=<libs>     Use LAPACK libraries <libs>
   --with-fft-libs=<libs>        Link to FFT libraries
@@ -1876,7 +1881,7 @@ fi
 test -n "$ac_init_help" && exit $ac_status
 if $ac_init_version; then
   cat <<\_ACEOF
-Yambo configure 5.2.0 r.23096 h.f147e08b32
+Yambo configure 5.2.0 r.23111 h.7456c06ea5
 generated by GNU Autoconf 2.71
 
 Copyright (C) 2021 Free Software Foundation, Inc.
@@ -2505,7 +2510,7 @@ cat >config.log <<_ACEOF
 This file contains any messages produced by compilers while
 running configure, to aid debugging if configure makes a mistake.
 
-It was created by Yambo $as_me 5.2.0 r.23096 h.f147e08b32, which was
+It was created by Yambo $as_me 5.2.0 r.23111 h.7456c06ea5, which was
 generated by GNU Autoconf 2.71.  Invocation command line was
 
   $ $0$ac_configure_args_raw
@@ -3263,8 +3268,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu
 SVERSION="5"
 SSUBVERSION="2"
 SPATCHLEVEL="0"
-SREVISION="23096"
-SHASH="f147e08b32"
+SREVISION="23111"
+SHASH="7456c06ea5"
 
 
 
@@ -4625,6 +4630,15 @@ fi
 #
 
 
+#
+# License-Identifier: GPL
+#
+# Copyright (C) 2016 The Yambo Team
+#
+# Authors (see AUTHORS file for details): AM
+#
+
+
 #
 #  General
 #
@@ -10309,6 +10323,31 @@ fi
 
 
 
+
+
+#
+
+# Check whether --with-ydiago-branch was given.
+if test ${with_ydiago_branch+y}
+then :
+  withval=$with_ydiago_branch;
+else $as_nop
+  with_ydiago_branch=none
+fi
+
+#
+ac_config_files="$ac_config_files lib/ydiago/make_ydiago.inc:lib/ydiago/make_ydiago.inc.in"
+
+if test x"$with_ydiago_branch" = "xnone"; then
+ ydiago_check="D";
+else
+ ydiago_check="G";
+fi
+YDIAGO_LIBS="${extlibs_path}/${FCKIND}/${FC}/lib/libydiago.a"
+
+
+
+
 # ============================================================================
 # YDB/YAMBOpy
 
@@ -15410,7 +15449,7 @@ if test x"$enable_nvtx" = "x";  then enable_nvtx="no" ; fi
 #
 def_cuda=""
 CUDA_FLAGS=""
-CUDA_LIBS="-Mcudalib=cufft,cublas,cusolver"
+CUDA_LIBS="-cudalib=cufft,cublas,cusolver"
 
 # Available cc options:
 #    cc20            Compile for compute capability 2.0
@@ -15432,12 +15471,12 @@ CUDA_LIBS="-Mcudalib=cufft,cublas,cusolver"
 printf %s "checking for CUDA support... " >&6; }
 if test x"$enable_cuda" = "xyes" ; then
   def_cuda="-D_CUDA"
-  CUDA_FLAGS="-Mcuda=cuda9.0,cc70,nollvm $CUDA_LIBS"
+  CUDA_FLAGS="-cuda -gpu=cuda9.0,cc70,nollvm $CUDA_LIBS"
   { printf "%s\n" "$as_me:${as_lineno-$LINENO}: result: $CUDA_FLAGS" >&5
 printf "%s\n" "$CUDA_FLAGS" >&6; }
 elif ! test x"$enable_cuda" = "x" ; then
   def_cuda="-D_CUDA"
-  CUDA_FLAGS="-Mcuda=$enable_cuda $CUDA_LIBS"
+  CUDA_FLAGS="-cuda -gpu=$enable_cuda $CUDA_LIBS"
   { printf "%s\n" "$as_me:${as_lineno-$LINENO}: result: $CUDA_FLAGS" >&5
 printf "%s\n" "$CUDA_FLAGS" >&6; }
 fi
@@ -15679,6 +15718,17 @@ fi
 # STRIPE [LIB] from paths
 #
 
+TMP1=`echo $YDIAGO_LIBS | sed 's/\//+/g'`
+TMP2=`echo $extlibs_path/${FCKIND}/${FC} | sed 's/\//+/g'`
+TMP3=`echo $TMP1 | sed "s/$TMP2/\(LIB\)/g"`
+STRIPE=`echo $TMP3 | sed 's/+/\//g'`
+if [ -z "${1// }" ]; then
+ STRIPE="$STRIPE ("LIB")"
+fi
+
+YDIAGO_LIBS_R=$STRIPE
+#
+
 TMP1=`echo $IOTK_LIBS | sed 's/\//+/g'`
 TMP2=`echo $extlibs_path/${FCKIND}/${FC} | sed 's/\//+/g'`
 TMP3=`echo $TMP1 | sed "s/$TMP2/\(LIB\)/g"`
@@ -16578,7 +16628,7 @@ cat >>$CONFIG_STATUS <<\_ACEOF || ac_write_fail=1
 # report actual input values of CONFIG_FILES etc. instead of their
 # values after options handling.
 ac_log="
-This file was extended by Yambo $as_me 5.2.0 r.23096 h.f147e08b32, which was
+This file was extended by Yambo $as_me 5.2.0 r.23111 h.7456c06ea5, which was
 generated by GNU Autoconf 2.71.  Invocation command line was
 
   CONFIG_FILES    = $CONFIG_FILES
@@ -16642,7 +16692,7 @@ ac_cs_config_escaped=`printf "%s\n" "$ac_cs_config" | sed "s/^ //; s/'/'\\\\\\\\
 cat >>$CONFIG_STATUS <<_ACEOF || ac_write_fail=1
 ac_cs_config='$ac_cs_config_escaped'
 ac_cs_version="\\
-Yambo config.status 5.2.0 r.23096 h.f147e08b32
+Yambo config.status 5.2.0 r.23111 h.7456c06ea5
 configured by $0, generated by GNU Autoconf 2.71,
   with options \\"\$ac_cs_config\\"
 
@@ -16763,6 +16813,7 @@ cat >>$CONFIG_STATUS <<\_ACEOF || ac_write_fail=1
 for ac_config_target in $ac_config_targets
 do
   case $ac_config_target in
+    "lib/ydiago/make_ydiago.inc") CONFIG_FILES="$CONFIG_FILES lib/ydiago/make_ydiago.inc:lib/ydiago/make_ydiago.inc.in" ;;
     "lib/fftqe/c_defs.h") CONFIG_HEADERS="$CONFIG_HEADERS lib/fftqe/c_defs.h:lib/fftqe/c_defs.h.in" ;;
     "lib/fftqe/fftqe_defs.h") CONFIG_FILES="$CONFIG_FILES lib/fftqe/fftqe_defs.h:lib/fftqe/fftqe_defs.h.in" ;;
     "lib/iotk/make_iotk.inc") CONFIG_FILES="$CONFIG_FILES lib/iotk/make_iotk.inc:lib/iotk/make_iotk.inc.in" ;;

diff --git a/include/version/version.m4 b/include/version/version.m4
@@ -1,9 +1,9 @@
-AC_INIT(Yambo, 5.2.0 r.23096 h.f147e08b32, [email protected])
+AC_INIT(Yambo, 5.2.0 r.23111 h.7456c06ea5, [email protected])
 SVERSION="5"
 SSUBVERSION="2"
 SPATCHLEVEL="0"
-SREVISION="23096"
-SHASH="f147e08b32"
+SREVISION="23111"
+SHASH="7456c06ea5"
 AC_SUBST(SVERSION)
 AC_SUBST(SSUBVERSION)
 AC_SUBST(SPATCHLEVEL)

diff --git a/lib/archive/Makefile.loc b/lib/archive/Makefile.loc
@@ -18,6 +18,8 @@ all: $(EXT_LIBS)
 #
 Ydriver:
 	@+URL="$(url_Ydriver)"  ;  GBRANCH="$(branch_Ydriver)"  ;  GIT="$(git_Ydriver)"; LIB="$(pkgname_Ydriver)"; $(call getsrc_git,"Ydriver"); $(call copy_driver,"Ydriver")
+Ydiago:
+	@+URL="$(url_Ydiago)"  ;   GBRANCH="$(branch_Ydiago)"   ;  GIT="$(git_Ydiago)";  LIB="$(pkgname_Ydiago)";  $(call getsrc_git,"Ydiago");
 #
 # Libraries (archives)
 #
@@ -67,6 +69,7 @@ clean_git_folders:
 clean_tgz:
 	if test ! -e keep-extlibs-stamp ; then \
           if test -s $(tarball_Ydriver)  && test "$(keep_Ydriver)"   != "yes" ;  then rm $(tarball_Ydriver)   ; fi ; \
+          if test -s $(tarball_Ydiago)   && test "$(keep_Ydiago)"    != "yes" ;  then rm $(tarball_Ydiago)    ; fi ; \
           if test -s $(tarball_libxc)    && test "$(keep_libxc)"     != "yes" ;  then rm $(tarball_libxc)     ; fi ; \
           if test -s $(tarball_iotk)     && test "$(keep_iotk)"      != "yes" ;  then rm $(tarball_iotk)      ; fi ; \
           if test -s $(tarball_netcdf)   && test "$(keep_netcdf)"    != "yes" ;  then rm $(tarball_netcdf)    ; fi ; \

diff --git a/lib/archive/git.list.in b/lib/archive/git.list.in
@@ -7,3 +7,6 @@
 #
 [email protected]:yambo-code/Ydriver.git
 branch_Ydriver=@with_ydriver_branch@
+
+[email protected]:yambo-code/Ydiago.git
+branch_Ydiago=@with_ydiago_branch@
diff --git a/lib/archive/package.list b/lib/archive/package.list
@@ -1,11 +1,12 @@
 #
 # Libs list
 #
-EXT_LIBS= yaml futile iotk hdf5 netcdf netcdff etsf_io libxc lapack blacs scalapack petsc slepc fftw fftqe Ydriver
+EXT_LIBS= yaml futile iotk hdf5 netcdf netcdff etsf_io libxc lapack blacs scalapack petsc slepc fftw fftqe Ydriver Ydiago
 #
 # storing options
 #
 keep_Ydriver=yes
+keep_Ydriago=yes
 keep_iotk=yes
 keep_netcdf=no
 keep_netcdff=no
@@ -25,6 +26,7 @@ keep_hdf5=no
 # package versions
 #
 version_Ydriver=1.4
+version_Ydiago=0.1.0
 version_iotk=y1.2.2
 version_netcdf=4.9.0
 version_netcdff=4.6.0
@@ -44,6 +46,7 @@ version_futile=missing
 # package names
 #
 pkgname_Ydriver=Ydriver-$(version_Ydriver)
+pkgname_Ydiago=Ydiago-$(version_Ydiago)
 pkgname_iotk=iotk-$(version_iotk)
 pkgname_netcdf=netcdf-c-$(version_netcdf)
 pkgname_netcdff=netcdf-fortran-$(version_netcdff)
@@ -63,6 +66,7 @@ pkgname_futile=futile-yambo
 # tarball names
 #
 tarball_Ydriver=$(version_Ydriver).tar.gz
+tarball_Ydiago=$(version_Ydiago).tar.gz
 tarball_iotk=$(pkgname_iotk).tar.gz
 tarball_netcdf=v$(version_netcdf).tar.gz
 tarball_netcdff=v$(version_netcdff).tar.gz
@@ -82,6 +86,7 @@ tarball_futile=$(pkgname_futile).tar.gz
 # External URL's on Github
 #
 url_Ydriver=https://github.com/yambo-code/Ydriver/archive/refs/tags/$(tarball_Ydriver)
+url_Ydiago=https://github.com/yambo-code/Ydiago/archive/refs/tags/$(tarball_Ydiago)
 url_lapack=https://github.com/Reference-LAPACK/lapack/archive/refs/tags/$(tarball_lapack)
 url_scalapack=https://github.com/Reference-ScaLAPACK/scalapack/archive/refs/tags/$(tarball_scalapack)
 url_hdf5=https://github.com/HDFGroup/hdf5/archive/refs/tags/$(tarball_hdf5)