From 761e5987358cef8222916bb4eff0a9abf10ea7cd Mon Sep 17 00:00:00 2001 From: Davide Sangalli Date: Sat, 30 Nov 2024 15:11:05 +0100 Subject: [PATCH 01/16] Version 5.3.0, Revision 23876, Hash 6f78224130 MODIFIED * configure include/version/version.m4 Changes: - [yambo] Version updated to 5.3.0 Patch sent by: Davide Sangalli --- configure | 22 +++++++++++----------- include/version/version.m4 | 8 ++++---- 2 files changed, 15 insertions(+), 15 deletions(-) diff --git a/configure b/configure index 07dfe0ff0..2e16d89d2 100755 --- 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.23875 h.b1118c8d9. +# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23877 h.6f78224130. # # Report bugs to . # @@ -610,8 +610,8 @@ MAKEFLAGS= # Identity of this package. PACKAGE_NAME='Yambo' PACKAGE_TARNAME='yambo' -PACKAGE_VERSION='5.2.0 r.23875 h.b1118c8d9' -PACKAGE_STRING='Yambo 5.2.0 r.23875 h.b1118c8d9' +PACKAGE_VERSION='5.3.0 r.23877 h.6f78224130' +PACKAGE_STRING='Yambo 5.3.0 r.23877 h.6f78224130' PACKAGE_BUGREPORT='yambo@yambo-code.org' PACKAGE_URL='' @@ -1659,7 +1659,7 @@ 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.23875 h.b1118c8d9 to adapt to many kinds of systems. +\`configure' configures Yambo 5.3.0 r.23877 h.6f78224130 to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -1725,7 +1725,7 @@ fi if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of Yambo 5.2.0 r.23875 h.b1118c8d9:";; + short | recursive ) echo "Configuration of Yambo 5.3.0 r.23877 h.6f78224130:";; esac cat <<\_ACEOF @@ -1967,7 +1967,7 @@ fi test -n "$ac_init_help" && exit $ac_status if $ac_init_version; then cat <<\_ACEOF -Yambo configure 5.2.0 r.23875 h.b1118c8d9 +Yambo configure 5.3.0 r.23877 h.6f78224130 generated by GNU Autoconf 2.71 Copyright (C) 2021 Free Software Foundation, Inc. @@ -2596,7 +2596,7 @@ 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.23875 h.b1118c8d9, which was +It was created by Yambo $as_me 5.3.0 r.23877 h.6f78224130, which was generated by GNU Autoconf 2.71. Invocation command line was $ $0$ac_configure_args_raw @@ -3354,8 +3354,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu SVERSION="5" SSUBVERSION="2" SPATCHLEVEL="0" -SREVISION="23875" -SHASH="b1118c8d9" +SREVISION="23877" +SHASH="6f78224130" @@ -17780,7 +17780,7 @@ cat >>$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.23875 h.b1118c8d9, which was +This file was extended by Yambo $as_me 5.3.0 r.23877 h.6f78224130, which was generated by GNU Autoconf 2.71. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -17844,7 +17844,7 @@ ac_cs_config_escaped=`printf "%s\n" "$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.23875 h.b1118c8d9 +Yambo config.status 5.3.0 r.23877 h.6f78224130 configured by $0, generated by GNU Autoconf 2.71, with options \\"\$ac_cs_config\\" diff --git a/include/version/version.m4 b/include/version/version.m4 index a58e35541..053f32f52 100644 --- a/include/version/version.m4 +++ b/include/version/version.m4 @@ -1,9 +1,9 @@ -AC_INIT(Yambo, 5.2.0 r.23875 h.b1118c8d9, yambo@yambo-code.org) +AC_INIT(Yambo, 5.3.0 r.23877 h.6f78224130, yambo@yambo-code.org) SVERSION="5" -SSUBVERSION="2" +SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23875" -SHASH="b1118c8d9" +SREVISION="23877" +SHASH="6f78224130" AC_SUBST(SVERSION) AC_SUBST(SSUBVERSION) AC_SUBST(SPATCHLEVEL) From 145a6c347e04b30fff1681c79c2c49c48918ad93 Mon Sep 17 00:00:00 2001 From: Claudio Attaccalite Date: Sat, 30 Nov 2024 19:25:49 +0100 Subject: [PATCH 02/16] Version 5.3.0, Revision 23877, Hash 761e598735 MODIFIED * configure stop_and_restart/STOP_now.F Bugs: -Better coding in case of stop_now Additions: - Changes: - Patch sent by: Claudio Attaccalite --- configure | 22 +++++++++++----------- src/stop_and_restart/STOP_now.F | 6 ++++++ 2 files changed, 17 insertions(+), 11 deletions(-) diff --git a/configure b/configure index 2e16d89d2..116ddde77 100755 --- a/configure +++ b/configure @@ -1,6 +1,6 @@ #! /bin/sh # Guess values for system-dependent variables and create Makefiles. -# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23877 h.6f78224130. +# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23878 h.761e598735. # # Report bugs to . # @@ -610,8 +610,8 @@ MAKEFLAGS= # Identity of this package. PACKAGE_NAME='Yambo' PACKAGE_TARNAME='yambo' -PACKAGE_VERSION='5.3.0 r.23877 h.6f78224130' -PACKAGE_STRING='Yambo 5.3.0 r.23877 h.6f78224130' +PACKAGE_VERSION='5.3.0 r.23878 h.761e598735' +PACKAGE_STRING='Yambo 5.3.0 r.23878 h.761e598735' PACKAGE_BUGREPORT='yambo@yambo-code.org' PACKAGE_URL='' @@ -1659,7 +1659,7 @@ if test "$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 5.3.0 r.23877 h.6f78224130 to adapt to many kinds of systems. +\`configure' configures Yambo 5.3.0 r.23878 h.761e598735 to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -1725,7 +1725,7 @@ fi if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of Yambo 5.3.0 r.23877 h.6f78224130:";; + short | recursive ) echo "Configuration of Yambo 5.3.0 r.23878 h.761e598735:";; esac cat <<\_ACEOF @@ -1967,7 +1967,7 @@ fi test -n "$ac_init_help" && exit $ac_status if $ac_init_version; then cat <<\_ACEOF -Yambo configure 5.3.0 r.23877 h.6f78224130 +Yambo configure 5.3.0 r.23878 h.761e598735 generated by GNU Autoconf 2.71 Copyright (C) 2021 Free Software Foundation, Inc. @@ -2596,7 +2596,7 @@ 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 5.3.0 r.23877 h.6f78224130, which was +It was created by Yambo $as_me 5.3.0 r.23878 h.761e598735, which was generated by GNU Autoconf 2.71. Invocation command line was $ $0$ac_configure_args_raw @@ -3354,8 +3354,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu SVERSION="5" SSUBVERSION="2" SPATCHLEVEL="0" -SREVISION="23877" -SHASH="6f78224130" +SREVISION="23878" +SHASH="761e598735" @@ -17780,7 +17780,7 @@ cat >>$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 5.3.0 r.23877 h.6f78224130, which was +This file was extended by Yambo $as_me 5.3.0 r.23878 h.761e598735, which was generated by GNU Autoconf 2.71. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -17844,7 +17844,7 @@ ac_cs_config_escaped=`printf "%s\n" "$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 5.3.0 r.23877 h.6f78224130 +Yambo config.status 5.3.0 r.23878 h.761e598735 configured by $0, generated by GNU Autoconf 2.71, with options \\"\$ac_cs_config\\" diff --git a/src/stop_and_restart/STOP_now.F b/src/stop_and_restart/STOP_now.F index 5f30c898b..f8fbf744f 100644 --- a/src/stop_and_restart/STOP_now.F +++ b/src/stop_and_restart/STOP_now.F @@ -18,6 +18,9 @@ logical function STOP_now(DO_IT_NOW) #endif #if defined _RT || defined _QED || defined _NL use real_time, ONLY:RT_bands +#endif +#if defined NL + use nl_optics, ONLY:NL_bands #endif ! implicit none @@ -57,6 +60,9 @@ logical function STOP_now(DO_IT_NOW) #endif #if defined _RT || defined _QED || defined _NL RT_bands=bands_save(3,:) +#endif +#if defined _NL + NL_bands=bands_save(3,:) #endif ! if (len_trim(USER_wall_time_string)>0.and.& From ffb5b21f0e115b099978a96ddaccf1c57d053581 Mon Sep 17 00:00:00 2001 From: Davide Sangalli Date: Sat, 30 Nov 2024 20:43:08 +0100 Subject: [PATCH 03/16] Version 5.3.0, Revision 23878, Hash 145a6c347e MODIFIED * config/m4/device_xlib.m4 config/m4/gpu.m4 config/m4/libcuda.m4 config/mk/global/no_configure_help.mk configure include/version/version.m4 Changes: - yambo website links fixed Patch sent by: Davide Sangalli --- config/m4/device_xlib.m4 | 2 +- config/m4/gpu.m4 | 2 +- config/m4/libcuda.m4 | 2 +- config/mk/global/no_configure_help.mk | 2 +- configure | 28 +++++++++++++-------------- include/version/version.m4 | 6 +++--- 6 files changed, 21 insertions(+), 21 deletions(-) diff --git a/config/m4/device_xlib.m4 b/config/m4/device_xlib.m4 index 9202eee96..7c913feef 100644 --- 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 index ccb4c4c85..2338bc738 100644 --- 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 index 525099a8a..50ceaf056 100644 --- 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 index 8a82a6214..07dc04a91 100644 --- 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 * * *) $(info ) diff --git a/configure b/configure index 116ddde77..560d4c81e 100755 --- a/configure +++ b/configure @@ -1,6 +1,6 @@ #! /bin/sh # Guess values for system-dependent variables and create Makefiles. -# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23878 h.761e598735. +# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23878 h.145a6c347e. # # Report bugs to . # @@ -610,8 +610,8 @@ MAKEFLAGS= # Identity of this package. PACKAGE_NAME='Yambo' PACKAGE_TARNAME='yambo' -PACKAGE_VERSION='5.3.0 r.23878 h.761e598735' -PACKAGE_STRING='Yambo 5.3.0 r.23878 h.761e598735' +PACKAGE_VERSION='5.3.0 r.23878 h.145a6c347e' +PACKAGE_STRING='Yambo 5.3.0 r.23878 h.145a6c347e' PACKAGE_BUGREPORT='yambo@yambo-code.org' PACKAGE_URL='' @@ -1659,7 +1659,7 @@ if test "$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 5.3.0 r.23878 h.761e598735 to adapt to many kinds of systems. +\`configure' configures Yambo 5.3.0 r.23878 h.145a6c347e to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -1725,7 +1725,7 @@ fi if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of Yambo 5.3.0 r.23878 h.761e598735:";; + short | recursive ) echo "Configuration of Yambo 5.3.0 r.23878 h.145a6c347e:";; esac cat <<\_ACEOF @@ -1967,7 +1967,7 @@ fi test -n "$ac_init_help" && exit $ac_status if $ac_init_version; then cat <<\_ACEOF -Yambo configure 5.3.0 r.23878 h.761e598735 +Yambo configure 5.3.0 r.23878 h.145a6c347e generated by GNU Autoconf 2.71 Copyright (C) 2021 Free Software Foundation, Inc. @@ -2596,7 +2596,7 @@ 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 5.3.0 r.23878 h.761e598735, which was +It was created by Yambo $as_me 5.3.0 r.23878 h.145a6c347e, which was generated by GNU Autoconf 2.71. Invocation command line was $ $0$ac_configure_args_raw @@ -3352,10 +3352,10 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu SVERSION="5" -SSUBVERSION="2" +SSUBVERSION="3" SPATCHLEVEL="0" SREVISION="23878" -SHASH="761e598735" +SHASH="145a6c347e" @@ -4970,7 +4970,7 @@ fi # # # Copyright (C) 2000-2021 the YAMBO team -# http://www.yambo-code.org +# http://www.yambo-code.eu # # Authors (see AUTHORS file for details): AF # @@ -10546,7 +10546,7 @@ url_ydb=https://github.com/yambo-code/ydb.git # # # Copyright (C) 2000-2021 the YAMBO team -# http://www.yambo-code.org +# http://www.yambo-code.eu # # Authors (see AUTHORS file for details): DS # @@ -10572,7 +10572,7 @@ url_ydb=https://github.com/yambo-code/ydb.git # # # Copyright (C) 2000-2021 the YAMBO team -# http://www.yambo-code.org +# http://www.yambo-code.eu # # Authors (see AUTHORS file for details): DS # @@ -17780,7 +17780,7 @@ cat >>$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 5.3.0 r.23878 h.761e598735, which was +This file was extended by Yambo $as_me 5.3.0 r.23878 h.145a6c347e, which was generated by GNU Autoconf 2.71. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -17844,7 +17844,7 @@ ac_cs_config_escaped=`printf "%s\n" "$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 5.3.0 r.23878 h.761e598735 +Yambo config.status 5.3.0 r.23878 h.145a6c347e configured by $0, generated by GNU Autoconf 2.71, with options \\"\$ac_cs_config\\" diff --git a/include/version/version.m4 b/include/version/version.m4 index 053f32f52..ba0042726 100644 --- a/include/version/version.m4 +++ b/include/version/version.m4 @@ -1,9 +1,9 @@ -AC_INIT(Yambo, 5.3.0 r.23877 h.6f78224130, yambo@yambo-code.org) +AC_INIT(Yambo, 5.3.0 r.23878 h.145a6c347e, yambo@yambo-code.org) SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23877" -SHASH="6f78224130" +SREVISION="23878" +SHASH="145a6c347e" AC_SUBST(SVERSION) AC_SUBST(SSUBVERSION) AC_SUBST(SPATCHLEVEL) From dc8636813e829ba4cbf43d89de465b6872cc521a Mon Sep 17 00:00:00 2001 From: Davide Sangalli Date: Sat, 30 Nov 2024 22:32:29 +0100 Subject: [PATCH 04/16] Version 5.3.0, Revision 23879, Hash ffb5b21f0e MODIFIED * configure include/version/version.m4 stop_and_restart/STOP_now.F Bugs: - [yambo_nl] compilation fixed Patch sent by: Davide Sangalli --- configure | 22 +++++++++++----------- include/version/version.m4 | 6 +++--- src/stop_and_restart/STOP_now.F | 2 +- 3 files changed, 15 insertions(+), 15 deletions(-) diff --git a/configure b/configure index 560d4c81e..df1aa8441 100755 --- a/configure +++ b/configure @@ -1,6 +1,6 @@ #! /bin/sh # Guess values for system-dependent variables and create Makefiles. -# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23878 h.145a6c347e. +# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23879 h.ffb5b21f0e. # # Report bugs to . # @@ -610,8 +610,8 @@ MAKEFLAGS= # Identity of this package. PACKAGE_NAME='Yambo' PACKAGE_TARNAME='yambo' -PACKAGE_VERSION='5.3.0 r.23878 h.145a6c347e' -PACKAGE_STRING='Yambo 5.3.0 r.23878 h.145a6c347e' +PACKAGE_VERSION='5.3.0 r.23879 h.ffb5b21f0e' +PACKAGE_STRING='Yambo 5.3.0 r.23879 h.ffb5b21f0e' PACKAGE_BUGREPORT='yambo@yambo-code.org' PACKAGE_URL='' @@ -1659,7 +1659,7 @@ if test "$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 5.3.0 r.23878 h.145a6c347e to adapt to many kinds of systems. +\`configure' configures Yambo 5.3.0 r.23879 h.ffb5b21f0e to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -1725,7 +1725,7 @@ fi if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of Yambo 5.3.0 r.23878 h.145a6c347e:";; + short | recursive ) echo "Configuration of Yambo 5.3.0 r.23879 h.ffb5b21f0e:";; esac cat <<\_ACEOF @@ -1967,7 +1967,7 @@ fi test -n "$ac_init_help" && exit $ac_status if $ac_init_version; then cat <<\_ACEOF -Yambo configure 5.3.0 r.23878 h.145a6c347e +Yambo configure 5.3.0 r.23879 h.ffb5b21f0e generated by GNU Autoconf 2.71 Copyright (C) 2021 Free Software Foundation, Inc. @@ -2596,7 +2596,7 @@ 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 5.3.0 r.23878 h.145a6c347e, which was +It was created by Yambo $as_me 5.3.0 r.23879 h.ffb5b21f0e, which was generated by GNU Autoconf 2.71. Invocation command line was $ $0$ac_configure_args_raw @@ -3354,8 +3354,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23878" -SHASH="145a6c347e" +SREVISION="23879" +SHASH="ffb5b21f0e" @@ -17780,7 +17780,7 @@ cat >>$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 5.3.0 r.23878 h.145a6c347e, which was +This file was extended by Yambo $as_me 5.3.0 r.23879 h.ffb5b21f0e, which was generated by GNU Autoconf 2.71. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -17844,7 +17844,7 @@ ac_cs_config_escaped=`printf "%s\n" "$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 5.3.0 r.23878 h.145a6c347e +Yambo config.status 5.3.0 r.23879 h.ffb5b21f0e configured by $0, generated by GNU Autoconf 2.71, with options \\"\$ac_cs_config\\" diff --git a/include/version/version.m4 b/include/version/version.m4 index ba0042726..85025c87f 100644 --- a/include/version/version.m4 +++ b/include/version/version.m4 @@ -1,9 +1,9 @@ -AC_INIT(Yambo, 5.3.0 r.23878 h.145a6c347e, yambo@yambo-code.org) +AC_INIT(Yambo, 5.3.0 r.23879 h.ffb5b21f0e, yambo@yambo-code.org) SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23878" -SHASH="145a6c347e" +SREVISION="23879" +SHASH="ffb5b21f0e" AC_SUBST(SVERSION) AC_SUBST(SSUBVERSION) AC_SUBST(SPATCHLEVEL) diff --git a/src/stop_and_restart/STOP_now.F b/src/stop_and_restart/STOP_now.F index f8fbf744f..0ab1b4e40 100644 --- a/src/stop_and_restart/STOP_now.F +++ b/src/stop_and_restart/STOP_now.F @@ -19,7 +19,7 @@ logical function STOP_now(DO_IT_NOW) #if defined _RT || defined _QED || defined _NL use real_time, ONLY:RT_bands #endif -#if defined NL +#if defined _NL use nl_optics, ONLY:NL_bands #endif ! From 51ccc4644247740f31fabd649d1b39979e0113c8 Mon Sep 17 00:00:00 2001 From: Davide Sangalli Date: Sat, 30 Nov 2024 22:42:10 +0100 Subject: [PATCH 05/16] Version 5.3.0, Revision 23880, Hash dc8636813e MODIFIED * configure include/version/version.m4 bse/K_diago_overlap_matrix.F collisions/Build_LSEX_collisions.F collisions/OSCLL_load.F common/eval_Gradient_gpu.F io/io_OSCLL.F linear_algebra/SERIAL_lin_system_gpu.F matrices/MATRIX_transpose.F modules/mod_gpu.F modules/mod_hip.F modules/mod_mklfft_gpu.F nloptics/NL_test_collisions.F parallel/PARALLEL_global_Oscillators.F wf_and_fft/fft_3d_hip.F Changes: - Fixed headers Patch sent by: Davide Sangalli --- configure | 22 +++++++++++----------- include/version/version.m4 | 6 +++--- src/bse/K_diago_overlap_matrix.F | 22 +++------------------- src/collisions/Build_LSEX_collisions.F | 22 +++------------------- src/collisions/OSCLL_load.F | 22 +++------------------- src/common/eval_Gradient_gpu.F | 22 +++------------------- src/io/io_OSCLL.F | 22 +++------------------- src/linear_algebra/SERIAL_lin_system_gpu.F | 22 +++------------------- src/matrices/MATRIX_transpose.F | 22 +++------------------- src/modules/mod_gpu.F | 22 +++------------------- src/modules/mod_hip.F | 21 +++------------------ src/modules/mod_mklfft_gpu.F | 22 +++------------------- src/nloptics/NL_test_collisions.F | 21 +++------------------ src/parallel/PARALLEL_global_Oscillators.F | 22 +++------------------- src/wf_and_fft/fft_3d_hip.F | 22 +++------------------- 15 files changed, 53 insertions(+), 259 deletions(-) diff --git a/configure b/configure index df1aa8441..a9baf658e 100755 --- 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 5.3.0 r.23879 h.ffb5b21f0e. +# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23880 h.dc8636813e. # # Report bugs to . # @@ -610,8 +610,8 @@ MAKEFLAGS= # Identity of this package. PACKAGE_NAME='Yambo' PACKAGE_TARNAME='yambo' -PACKAGE_VERSION='5.3.0 r.23879 h.ffb5b21f0e' -PACKAGE_STRING='Yambo 5.3.0 r.23879 h.ffb5b21f0e' +PACKAGE_VERSION='5.3.0 r.23880 h.dc8636813e' +PACKAGE_STRING='Yambo 5.3.0 r.23880 h.dc8636813e' PACKAGE_BUGREPORT='yambo@yambo-code.org' PACKAGE_URL='' @@ -1659,7 +1659,7 @@ 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 5.3.0 r.23879 h.ffb5b21f0e to adapt to many kinds of systems. +\`configure' configures Yambo 5.3.0 r.23880 h.dc8636813e to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -1725,7 +1725,7 @@ fi if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of Yambo 5.3.0 r.23879 h.ffb5b21f0e:";; + short | recursive ) echo "Configuration of Yambo 5.3.0 r.23880 h.dc8636813e:";; esac cat <<\_ACEOF @@ -1967,7 +1967,7 @@ fi test -n "$ac_init_help" && exit $ac_status if $ac_init_version; then cat <<\_ACEOF -Yambo configure 5.3.0 r.23879 h.ffb5b21f0e +Yambo configure 5.3.0 r.23880 h.dc8636813e generated by GNU Autoconf 2.71 Copyright (C) 2021 Free Software Foundation, Inc. @@ -2596,7 +2596,7 @@ 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 5.3.0 r.23879 h.ffb5b21f0e, which was +It was created by Yambo $as_me 5.3.0 r.23880 h.dc8636813e, which was generated by GNU Autoconf 2.71. Invocation command line was $ $0$ac_configure_args_raw @@ -3354,8 +3354,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23879" -SHASH="ffb5b21f0e" +SREVISION="23880" +SHASH="dc8636813e" @@ -17780,7 +17780,7 @@ cat >>$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 5.3.0 r.23879 h.ffb5b21f0e, which was +This file was extended by Yambo $as_me 5.3.0 r.23880 h.dc8636813e, which was generated by GNU Autoconf 2.71. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -17844,7 +17844,7 @@ ac_cs_config_escaped=`printf "%s\n" "$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 5.3.0 r.23879 h.ffb5b21f0e +Yambo config.status 5.3.0 r.23880 h.dc8636813e configured by $0, generated by GNU Autoconf 2.71, with options \\"\$ac_cs_config\\" diff --git a/include/version/version.m4 b/include/version/version.m4 index 85025c87f..9f237e6fe 100644 --- a/include/version/version.m4 +++ b/include/version/version.m4 @@ -1,9 +1,9 @@ -AC_INIT(Yambo, 5.3.0 r.23879 h.ffb5b21f0e, yambo@yambo-code.org) +AC_INIT(Yambo, 5.3.0 r.23880 h.dc8636813e, yambo@yambo-code.org) SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23879" -SHASH="ffb5b21f0e" +SREVISION="23880" +SHASH="dc8636813e" AC_SUBST(SVERSION) AC_SUBST(SSUBVERSION) AC_SUBST(SPATCHLEVEL) diff --git a/src/bse/K_diago_overlap_matrix.F b/src/bse/K_diago_overlap_matrix.F index d69737197..a7bf505fa 100644 --- a/src/bse/K_diago_overlap_matrix.F +++ b/src/bse/K_diago_overlap_matrix.F @@ -1,26 +1,10 @@ ! -! Copyright (C) 2000-2020 the YAMBO team -! http://www.yambo-code.org +! License-Identifier: GPL +! +! Copyright (C) 2020 the YAMBO team ! ! Authors (see AUTHORS file for details): AM, MG, DS ! -! This file is distributed under the terms of the GNU -! General Public License. You can redistribute it and/or -! modify it under the terms of the GNU General Public -! License as published by the Free Software Foundation; -! either version 2, or (at your option) any later version. -! -! This program is distributed in the hope that it will -! be useful, but WITHOUT ANY WARRANTY; without even the -! implied warranty of MERCHANTABILITY or FITNESS FOR A -! PARTICULAR PURPOSE. See the GNU General Public License -! for more details. -! -! You should have received a copy of the GNU General Public -! License along with this program; if not, write to the Free -! Software Foundation, Inc., 59 Temple Place - Suite 330,Boston, -! MA 02111-1307, USA or visit http://www.gnu.org/copyleft/gpl.txt. -! subroutine K_diago_overlap_matrix(BS_V_left,BS_V_right,BS_overlap) ! use pars, ONLY:SP,cZERO,cONE diff --git a/src/collisions/Build_LSEX_collisions.F b/src/collisions/Build_LSEX_collisions.F index 12ede3375..32cae3951 100644 --- a/src/collisions/Build_LSEX_collisions.F +++ b/src/collisions/Build_LSEX_collisions.F @@ -1,26 +1,10 @@ ! -! Copyright (C) 2000-2022 the LUMEN team -! http://www.yambo-code.org +! License-Identifier: GPL +! +! Copyright (C) 2020 the YAMBO team ! ! Authors (see AUTHORS file for details): CA ! -! This file is distributed under the terms of the GNU -! General Public License. You can redistribute it and/or -! modify it under the terms of the GNU General Public -! License as published by the Free Software Foundation; -! either version 2, or (at your option) any later version. -! -! This program is distributed in the hope that it will -! be useful, but WITHOUT ANY WARRANTY; without even the -! implied warranty of MERCHANTABILITY or FITNESS FOR A -! PARTICULAR PURPOSE. See the GNU General Public License -! for more details. -! -! You should have received a copy of the GNU General Public -! License along with this program; if not, write to the Free -! Software Foundation, Inc., 59 Temple Place - Suite 330,Boston, -! MA 02111-1307, USA or visit http://www.gnu.org/copyleft/gpl.txt. -! subroutine Build_LSEX_collisions(k,q,i_qp,COLL) ! ! This subroutine calculate the long-range part of the Screened exchange diff --git a/src/collisions/OSCLL_load.F b/src/collisions/OSCLL_load.F index 766a5add1..54848b897 100644 --- a/src/collisions/OSCLL_load.F +++ b/src/collisions/OSCLL_load.F @@ -1,26 +1,10 @@ ! -! Copyright (C) 2000-2022 the YAMBO team -! http://www.yambo-code.org +! License-Identifier: GPL +! +! Copyright (C) 2020 the YAMBO team ! ! Authors (see AUTHORS file for details): CA ! -! This file is distributed under the terms of the GNU -! General Public License. You can redistribute it and/or -! modify it under the terms of the GNU General Public -! License as published by the Free Software Foundation; -! either version 2, or (at your option) any later version. -! -! This program is distributed in the hope that it will -! be useful, but WITHOUT ANY WARRANTY; without even the -! implied warranty of MERCHANTABILITY or FITNESS FOR A -! PARTICULAR PURPOSE. See the GNU General Public License -! for more details. -! -! You should have received a copy of the GNU General Public -! License along with this program; if not, write to the Free -! Software Foundation, Inc., 59 Temple Place - Suite 330,Boston, -! MA 02111-1307, USA or visit http://www.gnu.org/copyleft/gpl.txt. -! subroutine OSCLL_load(q,k) ! ! Evaluate oscillators for the Local-SEX diff --git a/src/common/eval_Gradient_gpu.F b/src/common/eval_Gradient_gpu.F index a42e7ba02..e53ddb4f2 100644 --- a/src/common/eval_Gradient_gpu.F +++ b/src/common/eval_Gradient_gpu.F @@ -1,25 +1,9 @@ ! -! Copyright (C) 2000-2022 the YAMBO team -! http://www.yambo-code.org +! License-Identifier: GPL ! -! Authors (see AUTHORS file for details): AM MG AF -! -! This file is distributed under the terms of the GNU -! General Public License. You can redistribute it and/or -! modify it under the terms of the GNU General Public -! License as published by the Free Software Foundation; -! either version 2, or (at your option) any later version. +! Copyright (C) 2016 The Yambo Team ! -! This program is distributed in the hope that it will -! be useful, but WITHOUT ANY WARRANTY; without even the -! implied warranty of MERCHANTABILITY or FITNESS FOR A -! PARTICULAR PURPOSE. See the GNU General Public License -! for more details. -! -! You should have received a copy of the GNU General Public -! License along with this program; if not, write to the Free -! Software Foundation, Inc., 59 Temple Place - Suite 330,Boston, -! MA 02111-1307, USA or visit http://www.gnu.org/copyleft/gpl.txt. +! Authors (see AUTHORS file for details): AM MG AF ! #include ! diff --git a/src/io/io_OSCLL.F b/src/io/io_OSCLL.F index 929e63d92..dc53d1b50 100644 --- a/src/io/io_OSCLL.F +++ b/src/io/io_OSCLL.F @@ -1,26 +1,10 @@ ! -! Copyright (C) 2000-2022 the YAMBO team -! http://www.yambo-code.org +! License-Identifier: GPL +! +! Copyright (C) 2018 The Yambo Team ! ! Authors (see AUTHORS file for details): CA ! -! This file is distributed under the terms of the GNU -! General Public License. You can redistribute it and/or -! modify it under the terms of the GNU General Public -! License as published by the Free Software Foundation; -! either version 2, or (at your option) any later version. -! -! This program is distributed in the hope that it will -! be useful, but WITHOUT ANY WARRANTY; without even the -! implied warranty of MERCHANTABILITY or FITNESS FOR A -! PARTICULAR PURPOSE. See the GNU General Public License -! for more details. -! -! You should have received a copy of the GNU General Public -! License along with this program; if not, write to the Free -! Software Foundation, Inc., 59 Temple Place - Suite 330,Boston, -! MA 02111-1307, USA or visit http://www.gnu.org/copyleft/gpl.txt. -! integer function io_OSCLL(q,ID) ! use pars, ONLY:SP,schlen,IP_YIO diff --git a/src/linear_algebra/SERIAL_lin_system_gpu.F b/src/linear_algebra/SERIAL_lin_system_gpu.F index 357fcc9b1..dc1369bbf 100644 --- a/src/linear_algebra/SERIAL_lin_system_gpu.F +++ b/src/linear_algebra/SERIAL_lin_system_gpu.F @@ -1,26 +1,10 @@ ! -! Copyright (C) 2000-2022 the YAMBO team -! http://www.yambo-code.org +! License-Identifier: GPL +! +! Copyright (C) 2018 the Yambo Team ! ! Authors (see AUTHORS file for details): AF ! -! This file is distributed under the terms of the GNU -! General Public License. You can redistribute it and/or -! modify it under the terms of the GNU General Public -! License as published by the Free Software Foundation; -! either version 2, or (at your option) any later version. -! -! This program is distributed in the hope that it will -! be useful, but WITHOUT ANY WARRANTY; without even the -! implied warranty of MERCHANTABILITY or FITNESS FOR A -! PARTICULAR PURPOSE. See the GNU General Public License -! for more details. -! -! You should have received a copy of the GNU General Public -! License along with this program; if not, write to the Free -! Software Foundation, Inc., 59 Temple Place - Suite 330,Boston, -! MA 02111-1307, USA or visit http://www.gnu.org/copyleft/gpl.txt. -! subroutine SERIAL_lin_system_gpu(n,nrhs,A_d,B_d) ! ! Solve the linear system diff --git a/src/matrices/MATRIX_transpose.F b/src/matrices/MATRIX_transpose.F index 0928145de..d50c7e58a 100644 --- a/src/matrices/MATRIX_transpose.F +++ b/src/matrices/MATRIX_transpose.F @@ -1,25 +1,9 @@ ! -! Copyright (C) 2000-2020 the YAMBO team -! http://www.yambo-code.org +! License-Identifier: GPL ! -! Authors (see AUTHORS file for details): AM -! -! This file is distributed under the terms of the GNU -! General Public License. You can redistribute it and/or -! modify it under the terms of the GNU General Public -! License as published by the Free Software Foundation; -! either version 2, or (at your option) any later version. +! Copyright (C) 2015 the Yambo Team ! -! This program is distributed in the hope that it will -! be useful, but WITHOUT ANY WARRANTY; without even the -! implied warranty of MERCHANTABILITY or FITNESS FOR A -! PARTICULAR PURPOSE. See the GNU General Public License -! for more details. -! -! You should have received a copy of the GNU General Public -! License along with this program; if not, write to the Free -! Software Foundation, Inc., 59 Temple Place - Suite 330,Boston, -! MA 02111-1307, USA or visit http://www.gnu.org/copyleft/gpl.txt. +! Authors (see AUTHORS file for details): AM ! subroutine MATRIX_transpose( operation, M_in, M_out ) ! diff --git a/src/modules/mod_gpu.F b/src/modules/mod_gpu.F index e49dd419f..3ca256421 100644 --- a/src/modules/mod_gpu.F +++ b/src/modules/mod_gpu.F @@ -1,25 +1,9 @@ ! -! Copyright (C) 2000-2022 the YAMBO team -! http://www.yambo-code.org +! License-Identifier: GPL ! -! Authors (see AUTHORS file for details): MF, AF -! -! This file is distributed under the terms of the GNU -! General Public License. You can redistribute it and/or -! modify it under the terms of the GNU General Public -! License as published by the Free Software Foundation; -! either version 2, or (at your option) any later version. +! Copyright (C) 2022 the Yambo Team ! -! This program is distributed in the hope that it will -! be useful, but WITHOUT ANY WARRANTY; without even the -! implied warranty of MERCHANTABILITY or FITNESS FOR A -! PARTICULAR PURPOSE. See the GNU General Public License -! for more details. -! -! You should have received a copy of the GNU General Public -! License along with this program; if not, write to the Free -! Software Foundation, Inc., 59 Temple Place - Suite 330,Boston, -! MA 02111-1307, USA or visit http://www.gnu.org/copyleft/gpl.txt. +! Authors (see AUTHORS file for details): MF, AF ! !================ module gpu_m diff --git a/src/modules/mod_hip.F b/src/modules/mod_hip.F index 026ea712c..1c1be1d21 100644 --- a/src/modules/mod_hip.F +++ b/src/modules/mod_hip.F @@ -1,25 +1,10 @@ ! -! Copyright (C) 2000-2023 the YAMBO team -! http://www.yambo-code.org +! License-Identifier: GPL +! +! Copyright (C) 2022 the Yambo Team ! ! Authors (see AUTHORS file for details): AF ! -! This file is distributed under the terms of the GNU -! General Public License. You can redistribute it and/or -! modify it under the terms of the GNU General Public -! License as published by the Free Software Foundation; -! either version 2, or (at your option) any later version. -! -! This program is distributed in the hope that it will -! be useful, but WITHOUT ANY WARRANTY; without even the -! implied warranty of MERCHANTABILITY or FITNESS FOR A -! PARTICULAR PURPOSE. See the GNU General Public License -! for more details. -! -! You should have received a copy of the GNU General Public -! License along with this program; if not, write to the Free -! Software Foundation, Inc., 59 Temple Place - Suite 330,Boston, -! MA 02111-1307, USA or visit http://www.gnu.org/copyleft/gpl.txt. ! diff --git a/src/modules/mod_mklfft_gpu.F b/src/modules/mod_mklfft_gpu.F index bc8297eb9..56feeecc3 100644 --- a/src/modules/mod_mklfft_gpu.F +++ b/src/modules/mod_mklfft_gpu.F @@ -1,25 +1,9 @@ ! -! Copyright (C) 2000-2022 the YAMBO team -! http://www.yambo-code.org +! License-Identifier: GPL ! -! Authors (see AUTHORS file for details): AF +! Copyright (C) 2021 the YAMBO team ! -! This file is distributed under the terms of the GNU -! General Public License. You can redistribute it and/or -! modify it under the terms of the GNU General Public -! License as published by the Free Software Foundation; -! either version 2, or (at your option) any later version. -! -! This program is distributed in the hope that it will -! be useful, but WITHOUT ANY WARRANTY; without even the -! implied warranty of MERCHANTABILITY or FITNESS FOR A -! PARTICULAR PURPOSE. See the GNU General Public License -! for more details. -! -! You should have received a copy of the GNU General Public -! License along with this program; if not, write to the Free -! Software Foundation, Inc., 59 Temple Place - Suite 330,Boston, -! MA 02111-1307, USA or visit http://www.gnu.org/copyleft/gpl.txt. +! Authors (see AUTHORS file for details): AF ! #if defined _OPENMP_GPU && defined _MKLGPU !===================================================================== diff --git a/src/nloptics/NL_test_collisions.F b/src/nloptics/NL_test_collisions.F index c1a8b93a2..56f0be55f 100644 --- a/src/nloptics/NL_test_collisions.F +++ b/src/nloptics/NL_test_collisions.F @@ -1,25 +1,10 @@ ! -! Copyright (C) 2000-2017 the LUMEN team +! License-Identifier: GPL +! +! Copyright (C) 2019 the Yambo Team ! ! Authors (see AUTHORS file for details): MG CA ! -! This file is distributed under the terms of the GNU -! General Public License. You can redistribute it and/or -! modify it under the terms of the GNU General Public -! License as published by the Free Software Foundation; -! either version 2, or (at your option) any later version. -! -! This program is distributed in the hope that it will -! be useful, but WITHOUT ANY WARRANTY; without even the -! implied warranty of MERCHANTABILITY or FITNESS FOR A -! PARTICULAR PURPOSE. See the GNU General Public License -! for more details. -! -! You should have received a copy of the GNU General Public -! License along with this program; if not, write to the Free -! Software Foundation, Inc., 59 Temple Place - Suite 330,Boston, -! MA 02111-1307, USA or visit http://www.gnu.org/copyleft/gpl.txt. -! subroutine NL_test_collisions(k,q) ! ! Test-collisions built on the fly from V/W diff --git a/src/parallel/PARALLEL_global_Oscillators.F b/src/parallel/PARALLEL_global_Oscillators.F index f954228ee..99c0ab7ff 100644 --- a/src/parallel/PARALLEL_global_Oscillators.F +++ b/src/parallel/PARALLEL_global_Oscillators.F @@ -1,25 +1,9 @@ ! -! Copyright (C) 2000-2022 the YAMBO team -! http://www.yambo-code.org +! License-Identifier: GPL ! -! Authors (see AUTHORS file for details): CA MG DS -! -! This file is distributed under the terms of the GNU -! General Public License. You can redistribute it and/or -! modify it under the terms of the GNU General Public -! License as published by the Free Software Foundation; -! either version 2, or (at your option) any later version. -! -! This program is distributed in the hope that it will -! be useful, but WITHOUT ANY WARRANTY; without even the -! implied warranty of MERCHANTABILITY or FITNESS FOR A -! PARTICULAR PURPOSE. See the GNU General Public License -! for more details. +! Copyright (C) 2020 the YAMBO team ! -! You should have received a copy of the GNU General Public -! License along with this program; if not, write to the Free -! Software Foundation, Inc., 59 Temple Place - Suite 330,Boston, -! MA 02111-1307, USA or visit http://www.gnu.org/copyleft/gpl.txt. +! Authors (see AUTHORS file for details): CA MG DS ! subroutine PARALLEL_global_Oscillators(E,Xk,q) ! diff --git a/src/wf_and_fft/fft_3d_hip.F b/src/wf_and_fft/fft_3d_hip.F index 0ccb368c6..8893f7b00 100644 --- a/src/wf_and_fft/fft_3d_hip.F +++ b/src/wf_and_fft/fft_3d_hip.F @@ -1,26 +1,10 @@ ! -! Copyright (C) 2000-2022 the YAMBO team -! http://www.yambo-code.org +! License-Identifier: GPL +! +! Copyright (C) 2022 the YAMBO team ! ! Authors (see AUTHORS file for details): AF ! -! This file is distributed under the terms of the GNU -! General Public License. You can redistribute it and/or -! modify it under the terms of the GNU General Public -! License as published by the Free Software Foundation; -! either version 2, or (at your option) any later version. -! -! This program is distributed in the hope that it will -! be useful, but WITHOUT ANY WARRANTY; without even the -! implied warranty of MERCHANTABILITY or FITNESS FOR A -! PARTICULAR PURPOSE. See the GNU General Public License -! for more details. -! -! You should have received a copy of the GNU General Public -! License along with this program; if not, write to the Free -! Software Foundation, Inc., 59 Temple Place - Suite 330,Boston, -! MA 02111-1307, USA or visit http://www.gnu.org/copyleft/gpl.txt. -! !===================================================================== ! Driver to 3D FFT: FFTW, Goedecker ! From ca711d2b0be6765062d80e870c5a79a8803a19ce Mon Sep 17 00:00:00 2001 From: Claudio Attaccalite Date: Mon, 2 Dec 2024 11:03:38 +0100 Subject: [PATCH 06/16] Version 5.3.0, Revision 23881, Hash 51ccc4644 MODIFIED * configure include/version/version.m4 common/LEVELS_respect_degenerations.F interface/INIT_activate.F interface/INIT_load.F Bugs: - Additions: -Changed behaviour default is the old one Changes: - Patch sent by: Claudio Attaccalite --- configure | 22 +++++++++++----------- include/version/version.m4 | 6 +++--- src/common/LEVELS_respect_degenerations.F | 20 ++++++++++---------- src/interface/INIT_activate.F | 2 +- src/interface/INIT_load.F | 2 +- 5 files changed, 26 insertions(+), 26 deletions(-) diff --git a/configure b/configure index a9baf658e..4ae38df2b 100755 --- 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 5.3.0 r.23880 h.dc8636813e. +# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23881 h.51ccc4644. # # Report bugs to . # @@ -610,8 +610,8 @@ MAKEFLAGS= # Identity of this package. PACKAGE_NAME='Yambo' PACKAGE_TARNAME='yambo' -PACKAGE_VERSION='5.3.0 r.23880 h.dc8636813e' -PACKAGE_STRING='Yambo 5.3.0 r.23880 h.dc8636813e' +PACKAGE_VERSION='5.3.0 r.23881 h.51ccc4644' +PACKAGE_STRING='Yambo 5.3.0 r.23881 h.51ccc4644' PACKAGE_BUGREPORT='yambo@yambo-code.org' PACKAGE_URL='' @@ -1659,7 +1659,7 @@ 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 5.3.0 r.23880 h.dc8636813e to adapt to many kinds of systems. +\`configure' configures Yambo 5.3.0 r.23881 h.51ccc4644 to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -1725,7 +1725,7 @@ fi if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of Yambo 5.3.0 r.23880 h.dc8636813e:";; + short | recursive ) echo "Configuration of Yambo 5.3.0 r.23881 h.51ccc4644:";; esac cat <<\_ACEOF @@ -1967,7 +1967,7 @@ fi test -n "$ac_init_help" && exit $ac_status if $ac_init_version; then cat <<\_ACEOF -Yambo configure 5.3.0 r.23880 h.dc8636813e +Yambo configure 5.3.0 r.23881 h.51ccc4644 generated by GNU Autoconf 2.71 Copyright (C) 2021 Free Software Foundation, Inc. @@ -2596,7 +2596,7 @@ 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 5.3.0 r.23880 h.dc8636813e, which was +It was created by Yambo $as_me 5.3.0 r.23881 h.51ccc4644, which was generated by GNU Autoconf 2.71. Invocation command line was $ $0$ac_configure_args_raw @@ -3354,8 +3354,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23880" -SHASH="dc8636813e" +SREVISION="23881" +SHASH="51ccc4644" @@ -17780,7 +17780,7 @@ cat >>$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 5.3.0 r.23880 h.dc8636813e, which was +This file was extended by Yambo $as_me 5.3.0 r.23881 h.51ccc4644, which was generated by GNU Autoconf 2.71. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -17844,7 +17844,7 @@ ac_cs_config_escaped=`printf "%s\n" "$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 5.3.0 r.23880 h.dc8636813e +Yambo config.status 5.3.0 r.23881 h.51ccc4644 configured by $0, generated by GNU Autoconf 2.71, with options \\"\$ac_cs_config\\" diff --git a/include/version/version.m4 b/include/version/version.m4 index 9f237e6fe..c9a238bc2 100644 --- a/include/version/version.m4 +++ b/include/version/version.m4 @@ -1,9 +1,9 @@ -AC_INIT(Yambo, 5.3.0 r.23880 h.dc8636813e, yambo@yambo-code.org) +AC_INIT(Yambo, 5.3.0 r.23881 h.51ccc4644, yambo@yambo-code.org) SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23880" -SHASH="dc8636813e" +SREVISION="23881" +SHASH="51ccc4644" AC_SUBST(SVERSION) AC_SUBST(SSUBVERSION) AC_SUBST(SPATCHLEVEL) diff --git a/src/common/LEVELS_respect_degenerations.F b/src/common/LEVELS_respect_degenerations.F index 23bcfb05a..d90f231b9 100644 --- a/src/common/LEVELS_respect_degenerations.F +++ b/src/common/LEVELS_respect_degenerations.F @@ -37,13 +37,13 @@ subroutine LEVELS_respect_degenerations(E,Dip,X) ! Work Space ! integer :: B_user(2),B_fixed(2),i_f - logical :: l_USER_fields(16),SKIP_it + logical :: l_USER_fields(16),DegFix character(2) :: X_str ! ! By defaulft I assume that the degeneration is lifted ! but if the flag SkipDegFix is activated this operation is not done ! - call parser('SkipDegFix',SKIP_it) + call parser('CheckDegFix',DegFix) ! ! Check for USER definitions !--------------------------- @@ -62,44 +62,44 @@ subroutine LEVELS_respect_degenerations(E,Dip,X) if (i_f==3) X_str="Xd" if (i_f==4) X_str="Xp" if (i_f==5) X_str="Xm" - call fix_and_message(X_str,.not.SKIP_it,X(i_f)%ib) + call fix_and_message(X_str,DegFix,X(i_f)%ib) endif if (i_f==6) then call levels_check(E,Dip%ib) - call fix_and_message("Dipoles",.not.SKIP_it,Dip%ib) + call fix_and_message("Dipoles",DegFix,Dip%ib) endif #if defined _RT || defined _NL if (i_f==8) then call levels_check(E,RT_bands) - call fix_and_message("Real-Time",.not.SKIP_it,RT_bands) + call fix_and_message("Real-Time",DegFix,RT_bands) endif #endif if (i_f==7) then call levels_check(E,BS_bands) - call fix_and_message("BS",.not.SKIP_it,BS_bands) + call fix_and_message("BS",DegFix,BS_bands) endif #if defined _SC if (i_f==7) then call levels_check(E,SC_bands) - call fix_and_message("SC",.not.SKIP_it,SC_bands) + call fix_and_message("SC",DegFix,SC_bands) endif #endif #if defined _NL if (i_f==10) then call levels_check(E,NL_bands) - call fix_and_message("NL",.not.SKIP_it,NL_bands) + call fix_and_message("NL",DegFix,NL_bands) endif #endif #if defined _SC || defined _RT || defined _QED || defined _NL if (i_f==11) then call levels_check(E,COLL_bands) - call fix_and_message("COLLISIONS",.not.SKIP_it,COLL_bands) + call fix_and_message("COLLISIONS",DegFix,COLL_bands) endif #endif #if defined _QED if (i_f==12) then call levels_check(E,QP_n_G_bands) - call fix_and_message("QED",.not.SKIP_it,QP_n_G_bands) + call fix_and_message("QED",DegFix,QP_n_G_bands) endif #endif ! diff --git a/src/interface/INIT_activate.F b/src/interface/INIT_activate.F index 7ef827630..e1c7da57f 100644 --- a/src/interface/INIT_activate.F +++ b/src/interface/INIT_activate.F @@ -42,7 +42,7 @@ subroutine INIT_activate() ! !Common ! - call initactivate(1,'StdoHash Nelectro ElecTemp BoseTemp OccTresh NLogCPUs DBsIOoff DBsFRAGpm EvalMagn MEM_tresh') + call initactivate(1,'StdoHash Nelectro ElecTemp BoseTemp OccTresh NLogCPUs DBsIOoff DBsFRAGpm EvalMagn MEM_tresh DegFix') ! !FFT ! diff --git a/src/interface/INIT_load.F b/src/interface/INIT_load.F index 7072d7cfd..e1e756a49 100644 --- a/src/interface/INIT_load.F +++ b/src/interface/INIT_load.F @@ -207,7 +207,7 @@ subroutine INIT_load(defs,en,q,k,X,Xw,Dip) #endif call it('f',defs,'WFbuffIO','[IO] Wave-functions buffered I/O',verb_level=V_io) call it('f',defs,'NoDiagSC','New setup for non-diagonal supercells',verb_level=V_general) - call it('f',defs,'SkipDegFix','Do not force the code to impose the energy levels to respect their degeneracy',verb_level=V_general) + call it('f',defs,'DegFix','Force the code to impose the energy levels to respect their degeneracy',verb_level=V_general) ! ! Parallel Setup ! From 4d20cdbf0239d2bf5cc50279d78deabd52b68081 Mon Sep 17 00:00:00 2001 From: Claudio Attaccalite Date: Mon, 2 Dec 2024 11:04:32 +0100 Subject: [PATCH 07/16] Version 5.3.0, Revision 23882, Hash ca711d2b0 MODIFIED * configure include/version/version.m4 interface/INIT_load.F Bugs: - Additions: -Flag present in all inputs Changes: - Patch sent by: Claudio Attaccalite --- configure | 22 +++++++++++----------- include/version/version.m4 | 6 +++--- src/interface/INIT_load.F | 2 +- 3 files changed, 15 insertions(+), 15 deletions(-) diff --git a/configure b/configure index 4ae38df2b..70f33bebd 100755 --- 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 5.3.0 r.23881 h.51ccc4644. +# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23882 h.ca711d2b0. # # Report bugs to . # @@ -610,8 +610,8 @@ MAKEFLAGS= # Identity of this package. PACKAGE_NAME='Yambo' PACKAGE_TARNAME='yambo' -PACKAGE_VERSION='5.3.0 r.23881 h.51ccc4644' -PACKAGE_STRING='Yambo 5.3.0 r.23881 h.51ccc4644' +PACKAGE_VERSION='5.3.0 r.23882 h.ca711d2b0' +PACKAGE_STRING='Yambo 5.3.0 r.23882 h.ca711d2b0' PACKAGE_BUGREPORT='yambo@yambo-code.org' PACKAGE_URL='' @@ -1659,7 +1659,7 @@ 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 5.3.0 r.23881 h.51ccc4644 to adapt to many kinds of systems. +\`configure' configures Yambo 5.3.0 r.23882 h.ca711d2b0 to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -1725,7 +1725,7 @@ fi if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of Yambo 5.3.0 r.23881 h.51ccc4644:";; + short | recursive ) echo "Configuration of Yambo 5.3.0 r.23882 h.ca711d2b0:";; esac cat <<\_ACEOF @@ -1967,7 +1967,7 @@ fi test -n "$ac_init_help" && exit $ac_status if $ac_init_version; then cat <<\_ACEOF -Yambo configure 5.3.0 r.23881 h.51ccc4644 +Yambo configure 5.3.0 r.23882 h.ca711d2b0 generated by GNU Autoconf 2.71 Copyright (C) 2021 Free Software Foundation, Inc. @@ -2596,7 +2596,7 @@ 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 5.3.0 r.23881 h.51ccc4644, which was +It was created by Yambo $as_me 5.3.0 r.23882 h.ca711d2b0, which was generated by GNU Autoconf 2.71. Invocation command line was $ $0$ac_configure_args_raw @@ -3354,8 +3354,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23881" -SHASH="51ccc4644" +SREVISION="23882" +SHASH="ca711d2b0" @@ -17780,7 +17780,7 @@ cat >>$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 5.3.0 r.23881 h.51ccc4644, which was +This file was extended by Yambo $as_me 5.3.0 r.23882 h.ca711d2b0, which was generated by GNU Autoconf 2.71. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -17844,7 +17844,7 @@ ac_cs_config_escaped=`printf "%s\n" "$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 5.3.0 r.23881 h.51ccc4644 +Yambo config.status 5.3.0 r.23882 h.ca711d2b0 configured by $0, generated by GNU Autoconf 2.71, with options \\"\$ac_cs_config\\" diff --git a/include/version/version.m4 b/include/version/version.m4 index c9a238bc2..c31b5a907 100644 --- a/include/version/version.m4 +++ b/include/version/version.m4 @@ -1,9 +1,9 @@ -AC_INIT(Yambo, 5.3.0 r.23881 h.51ccc4644, yambo@yambo-code.org) +AC_INIT(Yambo, 5.3.0 r.23882 h.ca711d2b0, yambo@yambo-code.org) SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23881" -SHASH="51ccc4644" +SREVISION="23882" +SHASH="ca711d2b0" AC_SUBST(SVERSION) AC_SUBST(SSUBVERSION) AC_SUBST(SPATCHLEVEL) diff --git a/src/interface/INIT_load.F b/src/interface/INIT_load.F index e1e756a49..acf17ae30 100644 --- a/src/interface/INIT_load.F +++ b/src/interface/INIT_load.F @@ -207,7 +207,7 @@ subroutine INIT_load(defs,en,q,k,X,Xw,Dip) #endif call it('f',defs,'WFbuffIO','[IO] Wave-functions buffered I/O',verb_level=V_io) call it('f',defs,'NoDiagSC','New setup for non-diagonal supercells',verb_level=V_general) - call it('f',defs,'DegFix','Force the code to impose the energy levels to respect their degeneracy',verb_level=V_general) + call it('f',defs,'DegFix','Force the code to impose the energy levels to respect their degeneracy') ! ! Parallel Setup ! From afb82f3ac2316686251fd37677b7a731345c463a Mon Sep 17 00:00:00 2001 From: Davide Sangalli Date: Wed, 4 Dec 2024 14:09:32 +0100 Subject: [PATCH 08/16] Version 5.3.0, Revision 23883, Hash 4d20cdbf02 MODIFIED * Makefile configure include/version/version.m4 Bugs: - [compilation] Following user suggestion from #160 Patch sent by: Davide Sangalli --- Makefile | 20 ++++++++++---------- configure | 22 +++++++++++----------- include/version/version.m4 | 6 +++--- 3 files changed, 24 insertions(+), 24 deletions(-) diff --git a/Makefile b/Makefile index 205738176..67dfc3d26 100644 --- 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/configure b/configure index 70f33bebd..87a0ec5fa 100755 --- 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 5.3.0 r.23882 h.ca711d2b0. +# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23883 h.4d20cdbf02. # # Report bugs to . # @@ -610,8 +610,8 @@ MAKEFLAGS= # Identity of this package. PACKAGE_NAME='Yambo' PACKAGE_TARNAME='yambo' -PACKAGE_VERSION='5.3.0 r.23882 h.ca711d2b0' -PACKAGE_STRING='Yambo 5.3.0 r.23882 h.ca711d2b0' +PACKAGE_VERSION='5.3.0 r.23883 h.4d20cdbf02' +PACKAGE_STRING='Yambo 5.3.0 r.23883 h.4d20cdbf02' PACKAGE_BUGREPORT='yambo@yambo-code.org' PACKAGE_URL='' @@ -1659,7 +1659,7 @@ 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 5.3.0 r.23882 h.ca711d2b0 to adapt to many kinds of systems. +\`configure' configures Yambo 5.3.0 r.23883 h.4d20cdbf02 to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -1725,7 +1725,7 @@ fi if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of Yambo 5.3.0 r.23882 h.ca711d2b0:";; + short | recursive ) echo "Configuration of Yambo 5.3.0 r.23883 h.4d20cdbf02:";; esac cat <<\_ACEOF @@ -1967,7 +1967,7 @@ fi test -n "$ac_init_help" && exit $ac_status if $ac_init_version; then cat <<\_ACEOF -Yambo configure 5.3.0 r.23882 h.ca711d2b0 +Yambo configure 5.3.0 r.23883 h.4d20cdbf02 generated by GNU Autoconf 2.71 Copyright (C) 2021 Free Software Foundation, Inc. @@ -2596,7 +2596,7 @@ 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 5.3.0 r.23882 h.ca711d2b0, which was +It was created by Yambo $as_me 5.3.0 r.23883 h.4d20cdbf02, which was generated by GNU Autoconf 2.71. Invocation command line was $ $0$ac_configure_args_raw @@ -3354,8 +3354,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23882" -SHASH="ca711d2b0" +SREVISION="23883" +SHASH="4d20cdbf02" @@ -17780,7 +17780,7 @@ cat >>$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 5.3.0 r.23882 h.ca711d2b0, which was +This file was extended by Yambo $as_me 5.3.0 r.23883 h.4d20cdbf02, which was generated by GNU Autoconf 2.71. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -17844,7 +17844,7 @@ ac_cs_config_escaped=`printf "%s\n" "$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 5.3.0 r.23882 h.ca711d2b0 +Yambo config.status 5.3.0 r.23883 h.4d20cdbf02 configured by $0, generated by GNU Autoconf 2.71, with options \\"\$ac_cs_config\\" diff --git a/include/version/version.m4 b/include/version/version.m4 index c31b5a907..309092ef9 100644 --- a/include/version/version.m4 +++ b/include/version/version.m4 @@ -1,9 +1,9 @@ -AC_INIT(Yambo, 5.3.0 r.23882 h.ca711d2b0, yambo@yambo-code.org) +AC_INIT(Yambo, 5.3.0 r.23883 h.4d20cdbf02, yambo@yambo-code.org) SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23882" -SHASH="ca711d2b0" +SREVISION="23883" +SHASH="4d20cdbf02" AC_SUBST(SVERSION) AC_SUBST(SSUBVERSION) AC_SUBST(SPATCHLEVEL) From 3c4af63afd17c716f2aa9c31d8492e2b6b2c0e0f Mon Sep 17 00:00:00 2001 From: Claudio Attaccalite Date: Fri, 6 Dec 2024 15:46:41 +0100 Subject: [PATCH 09/16] Version 5.3.0, Revision 23884, Hash afb82f3ac MODIFIED * configure include/version/version.m4 common/LEVELS_respect_degenerations.F Bugs: -Bug reading flag Additions: - Changes: - Patch sent by: Claudio Attaccalite --- configure | 22 +++++++++++----------- include/version/version.m4 | 6 +++--- src/common/LEVELS_respect_degenerations.F | 2 +- 3 files changed, 15 insertions(+), 15 deletions(-) diff --git a/configure b/configure index 87a0ec5fa..52c9588cd 100755 --- a/configure +++ b/configure @@ -1,6 +1,6 @@ #! /bin/sh # Guess values for system-dependent variables and create Makefiles. -# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23883 h.4d20cdbf02. +# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23884 h.afb82f3ac. # # Report bugs to . # @@ -610,8 +610,8 @@ MAKEFLAGS= # Identity of this package. PACKAGE_NAME='Yambo' PACKAGE_TARNAME='yambo' -PACKAGE_VERSION='5.3.0 r.23883 h.4d20cdbf02' -PACKAGE_STRING='Yambo 5.3.0 r.23883 h.4d20cdbf02' +PACKAGE_VERSION='5.3.0 r.23884 h.afb82f3ac' +PACKAGE_STRING='Yambo 5.3.0 r.23884 h.afb82f3ac' PACKAGE_BUGREPORT='yambo@yambo-code.org' PACKAGE_URL='' @@ -1659,7 +1659,7 @@ if test "$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 5.3.0 r.23883 h.4d20cdbf02 to adapt to many kinds of systems. +\`configure' configures Yambo 5.3.0 r.23884 h.afb82f3ac to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -1725,7 +1725,7 @@ fi if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of Yambo 5.3.0 r.23883 h.4d20cdbf02:";; + short | recursive ) echo "Configuration of Yambo 5.3.0 r.23884 h.afb82f3ac:";; esac cat <<\_ACEOF @@ -1967,7 +1967,7 @@ fi test -n "$ac_init_help" && exit $ac_status if $ac_init_version; then cat <<\_ACEOF -Yambo configure 5.3.0 r.23883 h.4d20cdbf02 +Yambo configure 5.3.0 r.23884 h.afb82f3ac generated by GNU Autoconf 2.71 Copyright (C) 2021 Free Software Foundation, Inc. @@ -2596,7 +2596,7 @@ 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 5.3.0 r.23883 h.4d20cdbf02, which was +It was created by Yambo $as_me 5.3.0 r.23884 h.afb82f3ac, which was generated by GNU Autoconf 2.71. Invocation command line was $ $0$ac_configure_args_raw @@ -3354,8 +3354,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23883" -SHASH="4d20cdbf02" +SREVISION="23884" +SHASH="afb82f3ac" @@ -17780,7 +17780,7 @@ cat >>$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 5.3.0 r.23883 h.4d20cdbf02, which was +This file was extended by Yambo $as_me 5.3.0 r.23884 h.afb82f3ac, which was generated by GNU Autoconf 2.71. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -17844,7 +17844,7 @@ ac_cs_config_escaped=`printf "%s\n" "$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 5.3.0 r.23883 h.4d20cdbf02 +Yambo config.status 5.3.0 r.23884 h.afb82f3ac configured by $0, generated by GNU Autoconf 2.71, with options \\"\$ac_cs_config\\" diff --git a/include/version/version.m4 b/include/version/version.m4 index 309092ef9..cd7dc8047 100644 --- a/include/version/version.m4 +++ b/include/version/version.m4 @@ -1,9 +1,9 @@ -AC_INIT(Yambo, 5.3.0 r.23883 h.4d20cdbf02, yambo@yambo-code.org) +AC_INIT(Yambo, 5.3.0 r.23884 h.afb82f3ac, yambo@yambo-code.org) SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23883" -SHASH="4d20cdbf02" +SREVISION="23884" +SHASH="afb82f3ac" AC_SUBST(SVERSION) AC_SUBST(SSUBVERSION) AC_SUBST(SPATCHLEVEL) diff --git a/src/common/LEVELS_respect_degenerations.F b/src/common/LEVELS_respect_degenerations.F index d90f231b9..daff75a6f 100644 --- a/src/common/LEVELS_respect_degenerations.F +++ b/src/common/LEVELS_respect_degenerations.F @@ -43,7 +43,7 @@ subroutine LEVELS_respect_degenerations(E,Dip,X) ! By defaulft I assume that the degeneration is lifted ! but if the flag SkipDegFix is activated this operation is not done ! - call parser('CheckDegFix',DegFix) + call parser('DegFix',DegFix) ! ! Check for USER definitions !--------------------------- From 4679cafa1927697258a66c2413a9250577496112 Mon Sep 17 00:00:00 2001 From: Claudio Attaccalite Date: Fri, 6 Dec 2024 15:47:20 +0100 Subject: [PATCH 10/16] Version 5.3.0, Revision 23885, Hash 3c4af63af MODIFIED * configure include/version/version.m4 Bugs: - Additions: -configure regenerated Changes: - Patch sent by: Claudio Attaccalite --- configure | 22 +++++++++++----------- include/version/version.m4 | 6 +++--- 2 files changed, 14 insertions(+), 14 deletions(-) diff --git a/configure b/configure index 52c9588cd..e213490ab 100755 --- 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 5.3.0 r.23884 h.afb82f3ac. +# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23886 h.3c4af63af. # # Report bugs to . # @@ -610,8 +610,8 @@ MAKEFLAGS= # Identity of this package. PACKAGE_NAME='Yambo' PACKAGE_TARNAME='yambo' -PACKAGE_VERSION='5.3.0 r.23884 h.afb82f3ac' -PACKAGE_STRING='Yambo 5.3.0 r.23884 h.afb82f3ac' +PACKAGE_VERSION='5.3.0 r.23886 h.3c4af63af' +PACKAGE_STRING='Yambo 5.3.0 r.23886 h.3c4af63af' PACKAGE_BUGREPORT='yambo@yambo-code.org' PACKAGE_URL='' @@ -1659,7 +1659,7 @@ 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 5.3.0 r.23884 h.afb82f3ac to adapt to many kinds of systems. +\`configure' configures Yambo 5.3.0 r.23886 h.3c4af63af to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -1725,7 +1725,7 @@ fi if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of Yambo 5.3.0 r.23884 h.afb82f3ac:";; + short | recursive ) echo "Configuration of Yambo 5.3.0 r.23886 h.3c4af63af:";; esac cat <<\_ACEOF @@ -1967,7 +1967,7 @@ fi test -n "$ac_init_help" && exit $ac_status if $ac_init_version; then cat <<\_ACEOF -Yambo configure 5.3.0 r.23884 h.afb82f3ac +Yambo configure 5.3.0 r.23886 h.3c4af63af generated by GNU Autoconf 2.71 Copyright (C) 2021 Free Software Foundation, Inc. @@ -2596,7 +2596,7 @@ 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 5.3.0 r.23884 h.afb82f3ac, which was +It was created by Yambo $as_me 5.3.0 r.23886 h.3c4af63af, which was generated by GNU Autoconf 2.71. Invocation command line was $ $0$ac_configure_args_raw @@ -3354,8 +3354,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23884" -SHASH="afb82f3ac" +SREVISION="23886" +SHASH="3c4af63af" @@ -17780,7 +17780,7 @@ cat >>$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 5.3.0 r.23884 h.afb82f3ac, which was +This file was extended by Yambo $as_me 5.3.0 r.23886 h.3c4af63af, which was generated by GNU Autoconf 2.71. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -17844,7 +17844,7 @@ ac_cs_config_escaped=`printf "%s\n" "$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 5.3.0 r.23884 h.afb82f3ac +Yambo config.status 5.3.0 r.23886 h.3c4af63af configured by $0, generated by GNU Autoconf 2.71, with options \\"\$ac_cs_config\\" diff --git a/include/version/version.m4 b/include/version/version.m4 index cd7dc8047..6339c8fab 100644 --- a/include/version/version.m4 +++ b/include/version/version.m4 @@ -1,9 +1,9 @@ -AC_INIT(Yambo, 5.3.0 r.23884 h.afb82f3ac, yambo@yambo-code.org) +AC_INIT(Yambo, 5.3.0 r.23886 h.3c4af63af, yambo@yambo-code.org) SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23884" -SHASH="afb82f3ac" +SREVISION="23886" +SHASH="3c4af63af" AC_SUBST(SVERSION) AC_SUBST(SSUBVERSION) AC_SUBST(SPATCHLEVEL) From d7cf4a00d32f9d56600323dc8c7a89ff3dde8a7e Mon Sep 17 00:00:00 2001 From: Claudio Attaccalite Date: Mon, 9 Dec 2024 12:21:27 +0100 Subject: [PATCH 11/16] Version 5.3.0, Revision 23886, Hash 4679cafa1 MODIFIED * config/m4/acx_fortran_flags.m4 config/m4/acx_fpp.m4 config/m4/acx_mpi.m4 configure include/version/version.m4 Bugs: - Additions: -Configure updated to Intel OneAPI 2025 Changes: - Patch sent by: Claudio Attaccalite --- config/m4/acx_fortran_flags.m4 | 8 +++--- config/m4/acx_fpp.m4 | 2 +- config/m4/acx_mpi.m4 | 14 +++++------ configure | 46 +++++++++++++++++----------------- include/version/version.m4 | 6 ++--- 5 files changed, 38 insertions(+), 38 deletions(-) diff --git a/config/m4/acx_fortran_flags.m4 b/config/m4/acx_fortran_flags.m4 index ea5cc54fa..c1abc095a 100644 --- 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" @@ -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" diff --git a/config/m4/acx_fpp.m4 b/config/m4/acx_fpp.m4 index d98477ce4..a497e4065 100644 --- 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 "$FPP"; then FPP="fpp -free -P"; fi ;; *gfortran | *g95) diff --git a/config/m4/acx_mpi.m4 b/config/m4/acx_mpi.m4 index df1cf72df..ac408920b 100644 --- a/config/m4/acx_mpi.m4 +++ b/config/m4/acx_mpi.m4 @@ -16,11 +16,11 @@ AC_LANG_CASE([C], [ AC_REQUIRE([AC_PROG_CC]) AC_ARG_VAR(MPICC,[Parallel C compiler command]) if test x"$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=$MPIFC_test diff --git a/configure b/configure index e213490ab..ee4443f21 100755 --- a/configure +++ b/configure @@ -1,6 +1,6 @@ #! /bin/sh # Guess values for system-dependent variables and create Makefiles. -# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23886 h.3c4af63af. +# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23887 h.4679cafa1. # # Report bugs to . # @@ -610,8 +610,8 @@ MAKEFLAGS= # Identity of this package. PACKAGE_NAME='Yambo' PACKAGE_TARNAME='yambo' -PACKAGE_VERSION='5.3.0 r.23886 h.3c4af63af' -PACKAGE_STRING='Yambo 5.3.0 r.23886 h.3c4af63af' +PACKAGE_VERSION='5.3.0 r.23887 h.4679cafa1' +PACKAGE_STRING='Yambo 5.3.0 r.23887 h.4679cafa1' PACKAGE_BUGREPORT='yambo@yambo-code.org' PACKAGE_URL='' @@ -1659,7 +1659,7 @@ if test "$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 5.3.0 r.23886 h.3c4af63af to adapt to many kinds of systems. +\`configure' configures Yambo 5.3.0 r.23887 h.4679cafa1 to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -1725,7 +1725,7 @@ fi if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of Yambo 5.3.0 r.23886 h.3c4af63af:";; + short | recursive ) echo "Configuration of Yambo 5.3.0 r.23887 h.4679cafa1:";; esac cat <<\_ACEOF @@ -1967,7 +1967,7 @@ fi test -n "$ac_init_help" && exit $ac_status if $ac_init_version; then cat <<\_ACEOF -Yambo configure 5.3.0 r.23886 h.3c4af63af +Yambo configure 5.3.0 r.23887 h.4679cafa1 generated by GNU Autoconf 2.71 Copyright (C) 2021 Free Software Foundation, Inc. @@ -2596,7 +2596,7 @@ 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 5.3.0 r.23886 h.3c4af63af, which was +It was created by Yambo $as_me 5.3.0 r.23887 h.4679cafa1, which was generated by GNU Autoconf 2.71. Invocation command line was $ $0$ac_configure_args_raw @@ -3354,8 +3354,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23886" -SHASH="3c4af63af" +SREVISION="23887" +SHASH="4679cafa1" @@ -7304,7 +7304,7 @@ i?86*linux*) NETCDFFLAGS="-DgFortran" DEBUG_FLAGS="-Og -g -Wall -pedantic -fbounds-check -ffpe-trap=invalid,zero,overflow" ;; - *ifort*) + *ifort* | *ifx* ) OMPFLAGS="-openmp" NETCDFFLAGS="-DpgiFortran" CPU_FLAG="" @@ -7314,7 +7314,7 @@ i?86*linux*) CPU_FLAG="-xHost" #CPU_FLAG=" " ;; - *2021* ) + *2021* | *2022* | *2023* | *2024* | *2025* ) CPU_FLAG=" " OMPFLAGS="-qopenmp -parallel" FCMFLAG="-nofor-main" @@ -7555,7 +7555,7 @@ aarch*linux* | arm*linux* ) OMPFLAGS="-openmp" NETCDFFLAGS="-DpgiFortran" ;; - *ifort*) + *ifort* | *ifx* ) OMPFLAGS="-openmp" CPU_FLAG="" FCMFLAG="-nofor_main" @@ -7564,7 +7564,7 @@ aarch*linux* | arm*linux* ) #CPU_FLAG="-xHost" CPU_FLAG=" " ;; - *2020* | *2021* ) + *2020* | *2021* | *2022* | *2023* | *2024* | *2025* ) CPU_FLAG=" " OMPFLAGS="-qopenmp -parallel" FCMFLAG="-nofor-main" @@ -9030,7 +9030,7 @@ case "${FC}" in # # does not work properly # - *ifort*) + *ifort* | *ifx* ) if test -z "$FPP"; then FPP="fpp -free -P"; fi ;; *gfortran | *g95) @@ -9420,7 +9420,7 @@ ac_compiler_gnu=$ac_cv_fc_compiler_gnu if test x"$MPIFC" = "x" ; then - for ac_prog in $MPIFC mpipgifort mpiifort mpifort mpif90 mpxlf90 mpxlf mpf90 mpxlf95 mpxlf_r + for ac_prog in $MPIFC mpipgifort mpiifort mpifort mpif90 mpiifx mpxlf90 mpxlf mpf90 mpxlf95 mpxlf_r do # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 @@ -9491,7 +9491,7 @@ if eval test \"x\$"$as_ac_File"\" = x"yes" then : MPIFC_test=$MPIFC else $as_nop - for ac_prog in $MPIFC mpipgifort mpiifort mpifort mpif90 mpxlf90 mpxlf mpf90 mpxlf95 mpxlf_r + for ac_prog in $MPIFC mpipgifort mpiifort mpifort mpiifx mpif90 mpxlf90 mpxlf mpf90 mpxlf95 mpxlf_r do # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 @@ -9729,7 +9729,7 @@ if eval test \"x\$"$as_ac_File"\" = x"yes" then : MPIF77_test=$MPIF77 else $as_nop - for ac_prog in $MPIF77 $MPIFC mpipgifort mpiifort mpifort mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c + for ac_prog in $MPIF77 $MPIFC mpipgifort mpiifort mpifort mpiifx mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c do # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 @@ -9802,7 +9802,7 @@ if eval test \"x\$"$as_ac_File"\" = x"yes" then : MPIF77_test=$MPIFC else $as_nop - for ac_prog in $MPIF77 $MPIFC mpipgifort mpiifort mpifort mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c + for ac_prog in $MPIF77 $MPIFC mpipgifort mpiifort mpifort mpiifx mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c do # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 @@ -9853,7 +9853,7 @@ test -n "$MPIF77_test" || MPIF77_test="$F77" fi else - for ac_prog in $MPIF77 $MPIFC mpipgifort mpiifort mpifort mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c + for ac_prog in $MPIF77 $MPIFC mpipgifort mpiifort mpifort mpiifx mpif77 hf77 mpxlf mpf77 mpif90 mpf90 mpxlf90 mpxlf95 mpxlf_r cmpifc cmpif90c do # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 @@ -9996,7 +9996,7 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu if test x"$MPICC" = "x" ; then - for ac_prog in $MPICC mpipgicc mpiicc mpicc hcc mpcc mpcc_r mpxlc cmpicc + for ac_prog in $MPICC mpipgicc mpiicc mpicc mpiicpx hcc mpcc mpcc_r mpxlc cmpicc do # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 @@ -10071,7 +10071,7 @@ cat >>confdefs.h <<_ACEOF _ACEOF MPICC_test=$MPICC else $as_nop - for ac_prog in $MPICC mpipgicc mpiicc mpicc hcc mpcc mpcc_r mpxlc cmpicc + for ac_prog in $MPICC mpipgicc mpiicc mpicc mpiicpx hcc mpcc mpcc_r mpxlc cmpicc do # Extract the first word of "$ac_prog", so it can be a program name with args. set dummy $ac_prog; ac_word=$2 @@ -17780,7 +17780,7 @@ cat >>$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 5.3.0 r.23886 h.3c4af63af, which was +This file was extended by Yambo $as_me 5.3.0 r.23887 h.4679cafa1, which was generated by GNU Autoconf 2.71. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -17844,7 +17844,7 @@ ac_cs_config_escaped=`printf "%s\n" "$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 5.3.0 r.23886 h.3c4af63af +Yambo config.status 5.3.0 r.23887 h.4679cafa1 configured by $0, generated by GNU Autoconf 2.71, with options \\"\$ac_cs_config\\" diff --git a/include/version/version.m4 b/include/version/version.m4 index 6339c8fab..e1e8567cc 100644 --- a/include/version/version.m4 +++ b/include/version/version.m4 @@ -1,9 +1,9 @@ -AC_INIT(Yambo, 5.3.0 r.23886 h.3c4af63af, yambo@yambo-code.org) +AC_INIT(Yambo, 5.3.0 r.23887 h.4679cafa1, yambo@yambo-code.org) SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23886" -SHASH="3c4af63af" +SREVISION="23887" +SHASH="4679cafa1" AC_SUBST(SVERSION) AC_SUBST(SSUBVERSION) AC_SUBST(SPATCHLEVEL) From 8803efb3149a2a8064be5536b02951049f9f5fdf Mon Sep 17 00:00:00 2001 From: Claudio Attaccalite Date: Mon, 9 Dec 2024 12:28:12 +0100 Subject: [PATCH 12/16] Version 5.3.0, Revision 23887, Hash d7cf4a00d MODIFIED * config/m4/acx_fortran_flags.m4 config/m4/acx_get_fc_kind.m4 configure include/version/version.m4 Bugs: -Fixed configure for intel 2025 Additions: - Changes: - Patch sent by: Claudio Attaccalite --- config/m4/acx_fortran_flags.m4 | 8 +++---- config/m4/acx_get_fc_kind.m4 | 14 +++++++---- configure | 44 ++++++++++++++++++---------------- include/version/version.m4 | 6 ++--- 4 files changed, 40 insertions(+), 32 deletions(-) diff --git a/config/m4/acx_fortran_flags.m4 b/config/m4/acx_fortran_flags.m4 index c1abc095a..54823efcd 100644 --- a/config/m4/acx_fortran_flags.m4 +++ b/config/m4/acx_fortran_flags.m4 @@ -104,7 +104,7 @@ i?86*linux*) CPU_FLAG=" " ;; esac - SYSFLAGS="-assume bscc -O3 -g -ip $CPU_FLAG" + SYSFLAGS="-assume bscc -O3 -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" @@ -361,7 +361,7 @@ aarch*linux* | arm*linux* ) CPU_FLAG=" " ;; esac - SYSFLAGS="-assume bscc -O3 -g -ip ${CPU_FLAG}" + SYSFLAGS="-assume bscc -O3 -g ${CPU_FLAG}" FUFLAGS="-assume bscc -O0 -g ${CPU_FLAG}" NETCDFFLAGS="-DpgiFortran" DEBUG_FLAGS="-CB -traceback -debug full" diff --git a/config/m4/acx_get_fc_kind.m4 b/config/m4/acx_get_fc_kind.m4 index 55fb53958..b337d1584 100644 --- a/config/m4/acx_get_fc_kind.m4 +++ b/config/m4/acx_get_fc_kind.m4 @@ -35,11 +35,7 @@ case "${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 "$VER_2025" = "0"; then INTELVERSION="2025" ; fi rm -f ver_ ;; *) diff --git a/configure b/configure index ee4443f21..93c06aa84 100755 --- a/configure +++ b/configure @@ -1,6 +1,6 @@ #! /bin/sh # Guess values for system-dependent variables and create Makefiles. -# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23887 h.4679cafa1. +# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23888 h.d7cf4a00d. # # Report bugs to . # @@ -610,8 +610,8 @@ MAKEFLAGS= # Identity of this package. PACKAGE_NAME='Yambo' PACKAGE_TARNAME='yambo' -PACKAGE_VERSION='5.3.0 r.23887 h.4679cafa1' -PACKAGE_STRING='Yambo 5.3.0 r.23887 h.4679cafa1' +PACKAGE_VERSION='5.3.0 r.23888 h.d7cf4a00d' +PACKAGE_STRING='Yambo 5.3.0 r.23888 h.d7cf4a00d' PACKAGE_BUGREPORT='yambo@yambo-code.org' PACKAGE_URL='' @@ -1659,7 +1659,7 @@ if test "$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 5.3.0 r.23887 h.4679cafa1 to adapt to many kinds of systems. +\`configure' configures Yambo 5.3.0 r.23888 h.d7cf4a00d to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -1725,7 +1725,7 @@ fi if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of Yambo 5.3.0 r.23887 h.4679cafa1:";; + short | recursive ) echo "Configuration of Yambo 5.3.0 r.23888 h.d7cf4a00d:";; esac cat <<\_ACEOF @@ -1967,7 +1967,7 @@ fi test -n "$ac_init_help" && exit $ac_status if $ac_init_version; then cat <<\_ACEOF -Yambo configure 5.3.0 r.23887 h.4679cafa1 +Yambo configure 5.3.0 r.23888 h.d7cf4a00d generated by GNU Autoconf 2.71 Copyright (C) 2021 Free Software Foundation, Inc. @@ -2596,7 +2596,7 @@ 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 5.3.0 r.23887 h.4679cafa1, which was +It was created by Yambo $as_me 5.3.0 r.23888 h.d7cf4a00d, which was generated by GNU Autoconf 2.71. Invocation command line was $ $0$ac_configure_args_raw @@ -3354,8 +3354,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23887" -SHASH="4679cafa1" +SREVISION="23888" +SHASH="d7cf4a00d" @@ -7176,11 +7176,7 @@ case "${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` $FC -v >& ver_ @@ -7197,6 +7193,10 @@ case "${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 "$VER_10" = "0"; then INTELVERSION="10" ; fi @@ -7210,6 +7210,10 @@ case "${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_ ;; *) @@ -7330,7 +7334,7 @@ i?86*linux*) CPU_FLAG=" " ;; esac - SYSFLAGS="-assume bscc -O3 -g -ip $CPU_FLAG" + SYSFLAGS="-assume bscc -O3 -g $CPU_FLAG" FUFLAGS="-assume bscc -O0 $CPU_FLAG" DEBUG_FLAGS="-check all -CB -traceback -check bound" ;; @@ -7392,7 +7396,7 @@ 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" @@ -7469,7 +7473,7 @@ 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" @@ -7587,7 +7591,7 @@ aarch*linux* | arm*linux* ) CPU_FLAG=" " ;; esac - SYSFLAGS="-assume bscc -O3 -g -ip ${CPU_FLAG}" + SYSFLAGS="-assume bscc -O3 -g ${CPU_FLAG}" FUFLAGS="-assume bscc -O0 -g ${CPU_FLAG}" NETCDFFLAGS="-DpgiFortran" DEBUG_FLAGS="-CB -traceback -debug full" @@ -17780,7 +17784,7 @@ cat >>$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 5.3.0 r.23887 h.4679cafa1, which was +This file was extended by Yambo $as_me 5.3.0 r.23888 h.d7cf4a00d, which was generated by GNU Autoconf 2.71. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -17844,7 +17848,7 @@ ac_cs_config_escaped=`printf "%s\n" "$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 5.3.0 r.23887 h.4679cafa1 +Yambo config.status 5.3.0 r.23888 h.d7cf4a00d configured by $0, generated by GNU Autoconf 2.71, with options \\"\$ac_cs_config\\" diff --git a/include/version/version.m4 b/include/version/version.m4 index e1e8567cc..fc1445c22 100644 --- a/include/version/version.m4 +++ b/include/version/version.m4 @@ -1,9 +1,9 @@ -AC_INIT(Yambo, 5.3.0 r.23887 h.4679cafa1, yambo@yambo-code.org) +AC_INIT(Yambo, 5.3.0 r.23888 h.d7cf4a00d, yambo@yambo-code.org) SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23887" -SHASH="4679cafa1" +SREVISION="23888" +SHASH="d7cf4a00d" AC_SUBST(SVERSION) AC_SUBST(SSUBVERSION) AC_SUBST(SPATCHLEVEL) From 482cde76e83f1c5cc2278e7abb1e10604446b3eb Mon Sep 17 00:00:00 2001 From: Claudio Attaccalite Date: Mon, 9 Dec 2024 14:07:28 +0100 Subject: [PATCH 13/16] Version 5.3.0, Revision 23888, Hash 8803efb31 MODIFIED * configure include/version/version.m4 qp/QP_real_axis.F Bugs: -Fixed bug in real-axis GW with Ifort... tests in progress Additions: - Changes: - Patch sent by: Claudio Attaccalite --- configure | 22 +++++++++++----------- include/version/version.m4 | 6 +++--- src/qp/QP_real_axis.F | 1 + 3 files changed, 15 insertions(+), 14 deletions(-) diff --git a/configure b/configure index 93c06aa84..2aee89468 100755 --- a/configure +++ b/configure @@ -1,6 +1,6 @@ #! /bin/sh # Guess values for system-dependent variables and create Makefiles. -# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23888 h.d7cf4a00d. +# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23889 h.8803efb31. # # Report bugs to . # @@ -610,8 +610,8 @@ MAKEFLAGS= # Identity of this package. PACKAGE_NAME='Yambo' PACKAGE_TARNAME='yambo' -PACKAGE_VERSION='5.3.0 r.23888 h.d7cf4a00d' -PACKAGE_STRING='Yambo 5.3.0 r.23888 h.d7cf4a00d' +PACKAGE_VERSION='5.3.0 r.23889 h.8803efb31' +PACKAGE_STRING='Yambo 5.3.0 r.23889 h.8803efb31' PACKAGE_BUGREPORT='yambo@yambo-code.org' PACKAGE_URL='' @@ -1659,7 +1659,7 @@ if test "$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 5.3.0 r.23888 h.d7cf4a00d to adapt to many kinds of systems. +\`configure' configures Yambo 5.3.0 r.23889 h.8803efb31 to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -1725,7 +1725,7 @@ fi if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of Yambo 5.3.0 r.23888 h.d7cf4a00d:";; + short | recursive ) echo "Configuration of Yambo 5.3.0 r.23889 h.8803efb31:";; esac cat <<\_ACEOF @@ -1967,7 +1967,7 @@ fi test -n "$ac_init_help" && exit $ac_status if $ac_init_version; then cat <<\_ACEOF -Yambo configure 5.3.0 r.23888 h.d7cf4a00d +Yambo configure 5.3.0 r.23889 h.8803efb31 generated by GNU Autoconf 2.71 Copyright (C) 2021 Free Software Foundation, Inc. @@ -2596,7 +2596,7 @@ 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 5.3.0 r.23888 h.d7cf4a00d, which was +It was created by Yambo $as_me 5.3.0 r.23889 h.8803efb31, which was generated by GNU Autoconf 2.71. Invocation command line was $ $0$ac_configure_args_raw @@ -3354,8 +3354,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23888" -SHASH="d7cf4a00d" +SREVISION="23889" +SHASH="8803efb31" @@ -17784,7 +17784,7 @@ cat >>$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 5.3.0 r.23888 h.d7cf4a00d, which was +This file was extended by Yambo $as_me 5.3.0 r.23889 h.8803efb31, which was generated by GNU Autoconf 2.71. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -17848,7 +17848,7 @@ ac_cs_config_escaped=`printf "%s\n" "$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 5.3.0 r.23888 h.d7cf4a00d +Yambo config.status 5.3.0 r.23889 h.8803efb31 configured by $0, generated by GNU Autoconf 2.71, with options \\"\$ac_cs_config\\" diff --git a/include/version/version.m4 b/include/version/version.m4 index fc1445c22..52182faa7 100644 --- a/include/version/version.m4 +++ b/include/version/version.m4 @@ -1,9 +1,9 @@ -AC_INIT(Yambo, 5.3.0 r.23888 h.d7cf4a00d, yambo@yambo-code.org) +AC_INIT(Yambo, 5.3.0 r.23889 h.8803efb31, yambo@yambo-code.org) SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23888" -SHASH="d7cf4a00d" +SREVISION="23889" +SHASH="8803efb31" AC_SUBST(SVERSION) AC_SUBST(SSUBVERSION) AC_SUBST(SPATCHLEVEL) diff --git a/src/qp/QP_real_axis.F b/src/qp/QP_real_axis.F index 06879c681..b17335ea6 100644 --- a/src/qp/QP_real_axis.F +++ b/src/qp/QP_real_axis.F @@ -497,6 +497,7 @@ subroutine QP_real_axis(X,Xen,Xk,en,k,q,qp,Xw,Dip,GW_iter) enddo qp_loop ! call MATRIX_reset(X_par(1)) + deallocate(X_par) ! if (.not.l_life) then ! From 01005b4b3200807d2d0666900edb1872027f253c Mon Sep 17 00:00:00 2001 From: Claudio Attaccalite Date: Tue, 10 Dec 2024 16:08:17 +0100 Subject: [PATCH 14/16] Version 5.3.0, Revision 23889, Hash 482cde76e8 MODIFIED * configure bse/EPS_via_perturbative_inversion.F bse/K_inversion_Lo.F bse/K_inversion_driver.F bse/K_inversion_engine.F Bugs: -Partial fix for the BSE inversion with ifort-2025 Additions: - Changes: - Patch sent by: Claudio Attaccalite --- configure | 22 +++++++++++----------- src/bse/EPS_via_perturbative_inversion.F | 2 ++ src/bse/K_inversion_Lo.F | 1 + src/bse/K_inversion_driver.F | 4 ++-- src/bse/K_inversion_engine.F | 12 ++++++------ 5 files changed, 22 insertions(+), 19 deletions(-) diff --git a/configure b/configure index 2aee89468..6d222914a 100755 --- 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 5.3.0 r.23889 h.8803efb31. +# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23890 h.482cde76e8. # # Report bugs to . # @@ -610,8 +610,8 @@ MAKEFLAGS= # Identity of this package. PACKAGE_NAME='Yambo' PACKAGE_TARNAME='yambo' -PACKAGE_VERSION='5.3.0 r.23889 h.8803efb31' -PACKAGE_STRING='Yambo 5.3.0 r.23889 h.8803efb31' +PACKAGE_VERSION='5.3.0 r.23890 h.482cde76e8' +PACKAGE_STRING='Yambo 5.3.0 r.23890 h.482cde76e8' PACKAGE_BUGREPORT='yambo@yambo-code.org' PACKAGE_URL='' @@ -1659,7 +1659,7 @@ 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 5.3.0 r.23889 h.8803efb31 to adapt to many kinds of systems. +\`configure' configures Yambo 5.3.0 r.23890 h.482cde76e8 to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -1725,7 +1725,7 @@ fi if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of Yambo 5.3.0 r.23889 h.8803efb31:";; + short | recursive ) echo "Configuration of Yambo 5.3.0 r.23890 h.482cde76e8:";; esac cat <<\_ACEOF @@ -1967,7 +1967,7 @@ fi test -n "$ac_init_help" && exit $ac_status if $ac_init_version; then cat <<\_ACEOF -Yambo configure 5.3.0 r.23889 h.8803efb31 +Yambo configure 5.3.0 r.23890 h.482cde76e8 generated by GNU Autoconf 2.71 Copyright (C) 2021 Free Software Foundation, Inc. @@ -2596,7 +2596,7 @@ 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 5.3.0 r.23889 h.8803efb31, which was +It was created by Yambo $as_me 5.3.0 r.23890 h.482cde76e8, which was generated by GNU Autoconf 2.71. Invocation command line was $ $0$ac_configure_args_raw @@ -3354,8 +3354,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23889" -SHASH="8803efb31" +SREVISION="23890" +SHASH="482cde76e8" @@ -17784,7 +17784,7 @@ cat >>$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 5.3.0 r.23889 h.8803efb31, which was +This file was extended by Yambo $as_me 5.3.0 r.23890 h.482cde76e8, which was generated by GNU Autoconf 2.71. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -17848,7 +17848,7 @@ ac_cs_config_escaped=`printf "%s\n" "$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 5.3.0 r.23889 h.8803efb31 +Yambo config.status 5.3.0 r.23890 h.482cde76e8 configured by $0, generated by GNU Autoconf 2.71, with options \\"\$ac_cs_config\\" diff --git a/src/bse/EPS_via_perturbative_inversion.F b/src/bse/EPS_via_perturbative_inversion.F index 860525143..dee4c421c 100644 --- a/src/bse/EPS_via_perturbative_inversion.F +++ b/src/bse/EPS_via_perturbative_inversion.F @@ -44,6 +44,8 @@ integer function EPS_via_perturbative_inversion(n,m,n_loop,D,C,f,Lo) complex(SP) ::R_x_D_nm1(n,m),R_x_D_n(n,m),delta_f,fo ! EPS_via_perturbative_inversion=0 + R_x_D_nm1=cZERO + R_x_D_n =cZERO ! ! IP part ! diff --git a/src/bse/K_inversion_Lo.F b/src/bse/K_inversion_Lo.F index a0e9eecb0..7f472010d 100644 --- a/src/bse/K_inversion_Lo.F +++ b/src/bse/K_inversion_Lo.F @@ -48,6 +48,7 @@ subroutine K_inversion_Lo(iq,W,E,k,Lo_dim,Lo_n_loop,Lo) ! ! Zeroing !======= + SF=cZERO if (X_do_obs("pl")) PL(:,3) = rZERO if (X_do_obs("eps")) Resp_ii(:,3:4) = cZERO ! diff --git a/src/bse/K_inversion_driver.F b/src/bse/K_inversion_driver.F index 531ad7042..e5dc512ce 100644 --- a/src/bse/K_inversion_driver.F +++ b/src/bse/K_inversion_driver.F @@ -184,7 +184,7 @@ subroutine K_inversion_driver(iq,W,E,k,q) & TOTAL=W%n_freqs,NCPU=PAR_COM_SLK_INDEX_local%n_CPU) call live_timing('Perturbative inversion ',PAR_IND_freqs%n_of_elements(PAR_IND_FREQ_ID)) ! - call K_inversion_engine("any",1,W%n_freqs,iq,PAR_IND_freqs,W,Lo,Lo_dim,Lo_n_loop,.FALSE.) + call K_inversion_engine("any",1,W%n_freqs,PAR_IND_freqs,W,Lo,Lo_dim,Lo_n_loop,.FALSE.) ! call PP_redux_wait(K_INV_EPS%err,COMM=PAR_COM_SLK_INDEX_local%COMM) call PP_redux_wait(Resp_ii(:,2),COMM=PAR_COM_SLK_INDEX_local%COMM) @@ -292,7 +292,7 @@ subroutine do_it_FULL(TYP) ! iw=TYP%iw_full(i1) ! - call K_inversion_engine(TYP%what,iw,1,iq,PAR_IND_freqs,W,Lo,Lo_dim,Lo_n_loop,.TRUE.) + call K_inversion_engine(TYP%what,iw,1,PAR_IND_freqs,W,Lo,Lo_dim,Lo_n_loop,.TRUE.) ! call live_timing(steps=1) ! diff --git a/src/bse/K_inversion_engine.F b/src/bse/K_inversion_engine.F index 9fb2bed2d..df1c85634 100644 --- a/src/bse/K_inversion_engine.F +++ b/src/bse/K_inversion_engine.F @@ -5,7 +5,7 @@ ! ! Authors (see AUTHORS file for details): AM DS ! -subroutine K_inversion_engine(what,iw_2start,iw_2do,iq,px,W,Lo,Lo_dim,Lo_n_loop,do_it_full) +subroutine K_inversion_engine(what,iw_2start,iw_2do,px,W,Lo,Lo_dim,Lo_n_loop,do_it_full) ! use pars, ONLY:SP,cZERO use parallel_m, ONLY:PP_indexes @@ -20,12 +20,12 @@ subroutine K_inversion_engine(what,iw_2start,iw_2do,iq,px,W,Lo,Lo_dim,Lo_n_loop, ! #include ! - character(3) :: what - integer :: iw_2start,iw_2do,iq,Lo_dim,Lo_n_loop + type(w_samp),intent(in) :: W + complex(SP), intent(in) :: Lo(BS_H_dim,W%n_freqs,Lo_dim) + logical, intent(in) :: do_it_full + integer, intent(in) :: Lo_dim,iw_2start,iw_2do,Lo_n_loop + character(3),intent(in) :: what type(PP_indexes) :: px - type(w_samp) :: W - complex(SP) :: Lo(BS_H_dim,W%n_freqs,Lo_dim) - logical :: do_it_full ! ! Work Space ! From 82cb1824ef3cf804fa30fd03cd77e2f4838bfd5e Mon Sep 17 00:00:00 2001 From: Claudio Attaccalite Date: Tue, 10 Dec 2024 16:29:31 +0100 Subject: [PATCH 15/16] Version 5.3.0, Revision 23890, Hash 01005b4b32 MODIFIED * config/m4/acx_fortran_flags.m4 configure include/version/version.m4 common/Kramers_Kronig.F Bugs: -Fixed bug iusse #163 Additions: - Changes: - Patch sent by: Claudio Attaccalite --- config/m4/acx_fortran_flags.m4 | 4 ++-- configure | 26 +++++++++++++------------- include/version/version.m4 | 6 +++--- src/common/Kramers_Kronig.F | 6 ++++-- 4 files changed, 22 insertions(+), 20 deletions(-) diff --git a/config/m4/acx_fortran_flags.m4 b/config/m4/acx_fortran_flags.m4 index 54823efcd..59a129fc7 100644 --- a/config/m4/acx_fortran_flags.m4 +++ b/config/m4/acx_fortran_flags.m4 @@ -104,7 +104,7 @@ i?86*linux*) CPU_FLAG=" " ;; esac - SYSFLAGS="-assume bscc -O3 -g $CPU_FLAG" + SYSFLAGS="-assume bscc -O2 -g $CPU_FLAG" FUFLAGS="-assume bscc -O0 $CPU_FLAG" DEBUG_FLAGS="-check all -CB -traceback -check bound" ;; @@ -361,7 +361,7 @@ aarch*linux* | arm*linux* ) CPU_FLAG=" " ;; esac - SYSFLAGS="-assume bscc -O3 -g ${CPU_FLAG}" + SYSFLAGS="-assume bscc -O2 -g ${CPU_FLAG}" FUFLAGS="-assume bscc -O0 -g ${CPU_FLAG}" NETCDFFLAGS="-DpgiFortran" DEBUG_FLAGS="-CB -traceback -debug full" diff --git a/configure b/configure index 6d222914a..4194c44ce 100755 --- a/configure +++ b/configure @@ -1,6 +1,6 @@ #! /bin/sh # Guess values for system-dependent variables and create Makefiles. -# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23890 h.482cde76e8. +# Generated by GNU Autoconf 2.71 for Yambo 5.3.0 r.23891 h.01005b4b32. # # Report bugs to . # @@ -610,8 +610,8 @@ MAKEFLAGS= # Identity of this package. PACKAGE_NAME='Yambo' PACKAGE_TARNAME='yambo' -PACKAGE_VERSION='5.3.0 r.23890 h.482cde76e8' -PACKAGE_STRING='Yambo 5.3.0 r.23890 h.482cde76e8' +PACKAGE_VERSION='5.3.0 r.23891 h.01005b4b32' +PACKAGE_STRING='Yambo 5.3.0 r.23891 h.01005b4b32' PACKAGE_BUGREPORT='yambo@yambo-code.org' PACKAGE_URL='' @@ -1659,7 +1659,7 @@ if test "$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 5.3.0 r.23890 h.482cde76e8 to adapt to many kinds of systems. +\`configure' configures Yambo 5.3.0 r.23891 h.01005b4b32 to adapt to many kinds of systems. Usage: $0 [OPTION]... [VAR=VALUE]... @@ -1725,7 +1725,7 @@ fi if test -n "$ac_init_help"; then case $ac_init_help in - short | recursive ) echo "Configuration of Yambo 5.3.0 r.23890 h.482cde76e8:";; + short | recursive ) echo "Configuration of Yambo 5.3.0 r.23891 h.01005b4b32:";; esac cat <<\_ACEOF @@ -1967,7 +1967,7 @@ fi test -n "$ac_init_help" && exit $ac_status if $ac_init_version; then cat <<\_ACEOF -Yambo configure 5.3.0 r.23890 h.482cde76e8 +Yambo configure 5.3.0 r.23891 h.01005b4b32 generated by GNU Autoconf 2.71 Copyright (C) 2021 Free Software Foundation, Inc. @@ -2596,7 +2596,7 @@ 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 5.3.0 r.23890 h.482cde76e8, which was +It was created by Yambo $as_me 5.3.0 r.23891 h.01005b4b32, which was generated by GNU Autoconf 2.71. Invocation command line was $ $0$ac_configure_args_raw @@ -3354,8 +3354,8 @@ ac_compiler_gnu=$ac_cv_c_compiler_gnu SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23890" -SHASH="482cde76e8" +SREVISION="23891" +SHASH="01005b4b32" @@ -7334,7 +7334,7 @@ i?86*linux*) CPU_FLAG=" " ;; esac - SYSFLAGS="-assume bscc -O3 -g $CPU_FLAG" + SYSFLAGS="-assume bscc -O2 -g $CPU_FLAG" FUFLAGS="-assume bscc -O0 $CPU_FLAG" DEBUG_FLAGS="-check all -CB -traceback -check bound" ;; @@ -7591,7 +7591,7 @@ aarch*linux* | arm*linux* ) CPU_FLAG=" " ;; esac - SYSFLAGS="-assume bscc -O3 -g ${CPU_FLAG}" + SYSFLAGS="-assume bscc -O2 -g ${CPU_FLAG}" FUFLAGS="-assume bscc -O0 -g ${CPU_FLAG}" NETCDFFLAGS="-DpgiFortran" DEBUG_FLAGS="-CB -traceback -debug full" @@ -17784,7 +17784,7 @@ cat >>$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 5.3.0 r.23890 h.482cde76e8, which was +This file was extended by Yambo $as_me 5.3.0 r.23891 h.01005b4b32, which was generated by GNU Autoconf 2.71. Invocation command line was CONFIG_FILES = $CONFIG_FILES @@ -17848,7 +17848,7 @@ ac_cs_config_escaped=`printf "%s\n" "$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 5.3.0 r.23890 h.482cde76e8 +Yambo config.status 5.3.0 r.23891 h.01005b4b32 configured by $0, generated by GNU Autoconf 2.71, with options \\"\$ac_cs_config\\" diff --git a/include/version/version.m4 b/include/version/version.m4 index 52182faa7..f674602a1 100644 --- a/include/version/version.m4 +++ b/include/version/version.m4 @@ -1,9 +1,9 @@ -AC_INIT(Yambo, 5.3.0 r.23889 h.8803efb31, yambo@yambo-code.org) +AC_INIT(Yambo, 5.3.0 r.23890 h.482cde76e8, yambo@yambo-code.org) SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23889" -SHASH="8803efb31" +SREVISION="23890" +SHASH="482cde76e8" AC_SUBST(SVERSION) AC_SUBST(SSUBVERSION) AC_SUBST(SPATCHLEVEL) diff --git a/src/common/Kramers_Kronig.F b/src/common/Kramers_Kronig.F index 368b8eebf..678e472f2 100644 --- a/src/common/Kramers_Kronig.F +++ b/src/common/Kramers_Kronig.F @@ -17,7 +17,7 @@ subroutine Kramers_Kronig(fi,wi,ni,fo,wo,no,y0) ! ! fo is not INITIALIZED to 0. ! ! - use pars, ONLY:SP + use pars, ONLY:SP,cZERO ! implicit none ! @@ -30,6 +30,8 @@ subroutine Kramers_Kronig(fi,wi,ni,fo,wo,no,y0) ! integer :: i1,i2 complex(SP) :: m(ni-1),q(ni-1) + m=cZERO + q=cZERO ! do i1=1,ni-1 m(i1)=(fi(i1)-fi(i1+1))/(wi(i1)-wi(i1+1)) @@ -41,7 +43,7 @@ subroutine Kramers_Kronig(fi,wi,ni,fo,wo,no,y0) do i2=1,ni-1 fo(i1)=fo(i1)+m(i2)*(wi(i2)-wi(i2+1))+& & (q(i2)+m(i2)*(wo(i1)-y0))*& -& log((wi(i2)-wo(i1)+y0)/(wi(i2+1)-wo(i1)+y0)) +& (log(wi(i2)-wo(i1)+y0)-log(wi(i2+1)-wo(i1)+y0)) enddo enddo ! From f4ffae3a738db9ea91e49d41ffd3a8082eaeacd4 Mon Sep 17 00:00:00 2001 From: Claudio Attaccalite Date: Wed, 11 Dec 2024 11:56:21 +0100 Subject: [PATCH 16/16] Version 5.3.0, Revision 23891, Hash 82cb1824e MODIFIED * include/version/version.m4 common/Kramers_Kronig.F Bugs: - Additions: - Changes: -Restored old subroutine Patch sent by: Claudio Attaccalite --- include/version/version.m4 | 6 +++--- src/common/Kramers_Kronig.F | 6 ++---- 2 files changed, 5 insertions(+), 7 deletions(-) diff --git a/include/version/version.m4 b/include/version/version.m4 index f674602a1..e49a5c65d 100644 --- a/include/version/version.m4 +++ b/include/version/version.m4 @@ -1,9 +1,9 @@ -AC_INIT(Yambo, 5.3.0 r.23890 h.482cde76e8, yambo@yambo-code.org) +AC_INIT(Yambo, 5.3.0 r.23891 h.82cb1824e, yambo@yambo-code.org) SVERSION="5" SSUBVERSION="3" SPATCHLEVEL="0" -SREVISION="23890" -SHASH="482cde76e8" +SREVISION="23891" +SHASH="82cb1824e" AC_SUBST(SVERSION) AC_SUBST(SSUBVERSION) AC_SUBST(SPATCHLEVEL) diff --git a/src/common/Kramers_Kronig.F b/src/common/Kramers_Kronig.F index 678e472f2..368b8eebf 100644 --- a/src/common/Kramers_Kronig.F +++ b/src/common/Kramers_Kronig.F @@ -17,7 +17,7 @@ subroutine Kramers_Kronig(fi,wi,ni,fo,wo,no,y0) ! ! fo is not INITIALIZED to 0. ! ! - use pars, ONLY:SP,cZERO + use pars, ONLY:SP ! implicit none ! @@ -30,8 +30,6 @@ subroutine Kramers_Kronig(fi,wi,ni,fo,wo,no,y0) ! integer :: i1,i2 complex(SP) :: m(ni-1),q(ni-1) - m=cZERO - q=cZERO ! do i1=1,ni-1 m(i1)=(fi(i1)-fi(i1+1))/(wi(i1)-wi(i1+1)) @@ -43,7 +41,7 @@ subroutine Kramers_Kronig(fi,wi,ni,fo,wo,no,y0) do i2=1,ni-1 fo(i1)=fo(i1)+m(i2)*(wi(i2)-wi(i2+1))+& & (q(i2)+m(i2)*(wo(i1)-y0))*& -& (log(wi(i2)-wo(i1)+y0)-log(wi(i2+1)-wo(i1)+y0)) +& log((wi(i2)-wo(i1)+y0)/(wi(i2+1)-wo(i1)+y0)) enddo enddo !