Lumen 2.0

.fprettifyrc

@@ -0,0 +1,6 @@
+[fprettify]
+indent = 6
+whitespace_only = true
+case = upper
+strict_indent = false
+align_comments = true

.gitignore

@@ -20,9 +20,10 @@ objects.mk
 ##################
 config/compilation_helper.sh.inc
 lib/archive/git.list
-
 # Compiled source #
 ###################
+src/*/*.o_to_save
+ypp/*/*.o_to_save
 *.com
 *.class
 *.dll
@@ -37,13 +38,13 @@ lib/archive/git.list
 *.f90
 *.i
 *.s
-*.swp*
 *dSYM
 *bk
 
 # source #
 ##########
 lib/archive/Ydriver
+lib/archive/Ydriver-src
 lib/yambo/Ydriver/yambo/include/editor.h
 lib/yambo/Ydriver/yambo/include/version.h
 include/version/version.h
@@ -63,7 +64,7 @@ include/system/*
 lib/install/make_iotk.inc
 lib/iotk/make.sys
 lib/iotk/make_iotk.inc
-lib/ydiago/make_ydiago.inc
+lib/ldiago/make_ldiago.inc
 lib/yambo
 lib/*/*stamp
 lib/*/package-installed
@@ -83,7 +84,7 @@ lib/*/petsc-*
 lib/*/slepc-*
 lib/*/futile*
 lib/*/yaml*
-lib/*/Ydiago*
+lib/*/Ldiago*
 lib/*/devicexlib*
 lib/hdf5/hdf5*
 lib/external/*
@@ -136,6 +137,11 @@ nohup.out
 autom4te.cache
 
 #Scripts
-gfortran*.sh
-pgi*.sh
-nvidia*.sh
+compile_yambo_gcc
+gfortran*.sh*
+nvfortran*.sh*
+ifx*.sh*
+git_nmd.sh
+
+#Configuation files
+.vscode/*.json

.gitlab-ci.yml

@@ -0,0 +1,20 @@
+# The Docker image that will be used to build your app
+image: ubuntu:20.04
+variables:
+  DEBIAN_FRONTEND: "noninteractive"
+create-pages:
+  pages:
+    # The folder that contains the files to be exposed at the Page URL
+    publish: doc
+  rules:
+    # This ensures that only pushes to the default branch ($CI_DEFAULT_BRANCH) will trigger a pages deploy
+    - if: $CI_COMMIT_REF_NAME == "develop" 
+    - if: $CI_COMMIT_REF_NAME == "master" 
+  # Functions that should be executed before the build script is run 
+  script:
+    - apt-get -qq update
+    - apt-get -qq install apt-transport-https ca-certificates gnupg software-properties-common wget
+    - wget -O - https://apt.kitware.com/keys/kitware-archive-latest.asc 2>/dev/null | gpg --dearmor - | tee /etc/apt/trusted.gpg.d/kitware.gpg >/dev/null
+    - apt-add-repository 'deb https://apt.kitware.com/ubuntu/ focal main'
+    - apt-get install -qq build-essential git gcc gfortran cmake libopenblas-dev libfftw3-dev libopenmpi-dev
+    - ./configure

.vscode/extensions.json_suggested

@@ -0,0 +1,18 @@
+{
+    "recommendations": [
+      // Fortran language support
+      "krvajal.vscode-fortran-support",  
+      // Linting, IntelliSense, debugging (GDB)
+      "ms-vscode.cpptools",
+      // Python tests and helpers
+      "ms-python.python",
+      "ms-python.vscode-pylance",
+      // Debug (LLDB alternative)
+      "vadimcn.vscode-lldb",
+      // Color-coded comments (TODO, FIXME, etc.)
+      "aaron-bond.better-comments",
+      // Format Fortran code with fprettify
+      "fortran-lang.fortran-fprettify"
+    ]
+  }
+

.vscode/launch.json_suggested

@@ -0,0 +1,25 @@
+{
+    "version": "0.2.0",
+    "configurations": [
+      {
+        "name": "Debug Yambo",
+        "type": "cppdbg",
+        "request": "launch",
+        "program": "/root/codes/lumen/bin/yambo", // Adjust to your Yambo binary path
+        "args": ["-F", "02_COHSEX", "-J", "debug_run", "-C", "debug_run", "-I", "debug_run"], // Adjust to your Yambo files 
+        "stopAtEntry": false,
+        "cwd": "${workspaceFolder}",
+        "environment": [],
+        "externalConsole": false,
+        "MIMode": "gdb",
+        "miDebuggerPath": "/usr/bin/gdb",
+        "setupCommands": [
+          {
+            "description": "Enable pretty printing",
+            "text": "-enable-pretty-printing",
+            "ignoreFailures": true
+          }
+        ]
+      }
+    ]
+  } 

.vscode/settings.json_suggested

@@ -0,0 +1,58 @@
+{
+  // File associations for proper syntax highlighting
+  "files.associations": {
+    "*.F": "FortranFreeForm",
+    "*.F90": "FortranFreeForm",
+    "*.inc": "FortranFreeForm"
+  },
+  // GitHub Copilot activation for Fortran
+  "github.copilot.enable": {
+    "Fortran": true,
+    "Fortran77": true
+  },
+  // Fortran linter configuration
+  "fortran.linter.compiler": "gfortran",
+  "fortran.linter.compilerPath": "/usr/bin/gfortran",
+  "fortran.linter.extraArgs": [
+    "-Wall",
+    "-Wextra",
+    "-pedantic",
+    "-std=f2008",
+    "-cpp",
+    "-D_HDF5_LIB",
+    "-D_HDF5_IO",
+    "-D_MPI",
+    "-DYAMBO_ALLOC",
+    "-DDEV_SUB_ALT(x)=x##_cpu"
+  ],
+  "fortran.linter.includePaths": [
+    "${workspaceFolder}/src/modules/",
+    "${workspaceFolder}/src/parser/",
+    "${workspaceFolder}/include/",
+    "${workspaceFolder}/include/headers/common",
+    "${workspaceFolder}/include/version",
+    "${workspaceFolder}/include/system",
+    "${workspaceFolder}/include/headers/parser"
+  ],
+  "fortran.fortls.preprocessor.definitions": {
+    "_HDF5_LIB": "",
+    "_HDF5_IO": "",
+    "_MPI": "",
+    "YAMBO_ALLOC(A,x)": "allocate(A x)",
+  },
+  "fortran.fortls.path": "/home/reho0001/.local/bin/fortls",
+  // Optional formatter
+  "fortran.formatting.formatter": "fprettify",
+  "fortran.formatting.fprettifyArgs": [
+    "/root/.local/bin/fprettify"
+  ],
+  "fortran.formatting.path": "/root/.local/bin/fprettify", // Change me: Path to the fprettify executable
+  "editor.formatOnSave": true,
+  // Enable verbose logging
+  "fortran.logging.level": "Debug",
+  "fortran.experimental.keepInitDiagnostics": false,
+  //This is needed if fortls is installed via pipx
+  "terminal.integrated.env.linux": {
+    "PATH": "${env:HOME}/.local/bin:${env:PATH}"
+  }
+}

AUTHORS

@@ -1,60 +1,61 @@
 
-ACTIVE DEVELOPERS
-==================
-
-   NAME SURNAME                 (INITIALS)    (since year)
-   ------------			----------    ------------
- * Andrea Marini                   (AM)  	 (2001)
- * Myrta Gruening                  (MG)  	 (2004)
- * Daniele Varsano                 (DV)  	 (2004)
- * Conor Hogan                     (CH)  	 (2005)
- * Maurizia Palummo                (MP)  	 (2005)
- * Claudio Attaccalite             (CA)  	 (2009)
- * Davide Sangalli                 (DS)  	 (2009)
- * Elena Cannuccia                 (EC)  	 (2011)
- * Andrea Ferretti                 (AF)  	 (2013)
- * Alejandro Molina-Sánchez        (AMS) 	 (2015)
- * Miki Bonacci                    (MB)  	 (2018)
- * Dario Alejandro Leon-Valido     (DALV)	 (2018)
- * Fulvio Paleari                  (FP)  	 (2018)
- * Nicola Spallanzani              (NS)  	 (2019)
- * Pino D’Amico                    (PDA)  	 (2020) 
- * Alberto Guandalini              (AG)  	 (2020)
- * Riccardo Reho                   (RR)  	 (2022)
- * Giacomo Sesti                   (GS)  	 (2022)
- * Blanca Mellado Pinto            (BM)          (2023)
- * Nalabothula Muralidhar          (NM)          (2024)
-
-FORMER DEVELOPERS
-==================
+DEVELOPERS
+===========
 
    NAME SURNAME 		(INITIALS)   (period of activity)
    ------------			----------   --------------------
- * David Kammerlader               (DK)  	 (2010-2012)
- * Fabio Affinito                  (FA)  	 (2013-2019)
+ * Davide Sangalli                 (DS)  	 (2009-NOW)
+ * Andrea Marini                   (AM)  	 (2001-2025)
+ * Claudio Attaccalite             (CA)  	 (2009-NOW)
+ * Andrea Ferretti                 (AF)  	 (2013-NOW)
+ * Henrique Miranda                (HM)  	 (2016-2018)
+ * Daniele Varsano                 (DV)  	 (2004-NOW)
+ * Fulvio Paleari                  (FP)  	 (2018-NOW)
+ * Conor Hogan                     (CH)  	 (2005-2015)
+ * Nalabothula Muralidhar          (NM)          (2024-NOW)
+ * Alberto Guandalini              (AG)  	 (2020-2023)
+ * Myrta Gruening                  (MG)  	 (2004-NOW)
+ * Nicola Spallanzani              (NS)  	 (2019-NOW)
+ * Miki Bonacci                    (MB)  	 (2018-2020)
+ * Dario Alejandro Leon-Valido     (DALV)	 (2018-2024)
+ * Riccardo Reho                   (RR)  	 (2022-NOW)
+ * Ignacio Martin Alliati          (IMA) 	 (2020-2024)
  * Pedro Melo                      (PM)  	 (2013-2022)
- * Ivan Marri                      (IM)  	 (2014-2018)
+ * Blanca Mellado Pinto            (BM)          (2023-2025)
+ * Elena Molteni                   (EM)  	 (2019-2021)
+ * Alejandro Molina-Sánchez        (AMS) 	 (2015-2022)
+ * Ivan Marri                      (IM)  	 (2014-2019)
+ * Pietro Bonfa’                   (PB)  	 (2018-2018)
+ * Giacomo Rossi                   (GR)          (2023-NOW)
+ * Ryan McMillan                   (RM)  	 (2015-2015)
+ * Antimo Marrazzo                 (AR)  	 (2016-2020)
+ * Laura Bellentani                (LB)          (2024-NOW)
+ * Giacomo Sesti                   (GS)  	 (2022-NOW)
+ * Petru Milev                     (PMI)         (2025-NOW)
+ * Torsten Geirsson                (TG)          (2025-NOW)
  * Margherita Marsili              (MM)  	 (2014-2022)
+ * Pino D’Amico                    (PDA)  	 (2020-2021)
+ * Maurizia Palummo                (MP)  	 (2005-2020)
+ * Elena Cannuccia                 (EC)  	 (2011-2020)
+ * Fabio Affinito                  (FA)  	 (2013-2019)
  * Mike Atambo                     (MA)  	 (2015-2018)
- * Pietro Bonfa’                   (PB)  	 (2015-2018)
- * Ryan McMillan                   (RM)  	 (2015-2017)
- * Antimo Marrazzo                 (AR)  	 (2016-2020)
- * Henrique Miranda                (HM)  	 (2016-2018)
- * Elena Molteni                   (EM)  	 (2019-2021)
- * Ignacio Martin Alliati          (IMA) 	 (2020-2024)
+ * David Kammerlader               (DK)  	 (2010-2012)
 
 ACKNOWLEDGEMENTS
 =================
 
-In all source files the Yambo developers are included with their initials.
-Andrea Marini is the original developer of the code and still the main responsible for the code development.
+In all source files the developers are included with their initials.
 
-For aknowledging the Yambo Team please refer to the following published articles:
+Davide Sangallli and Claudio Attaccalite are the founders of the Lumen fork
 
-- A Marini, et al. "Yambo: an ab initio tool for excited state calculations",
-  Computer Physics Communications 180 (8), 1392 (2009)
+Andrea Marini is the original developer of the Yambo code
+
+For aknowledging the developers Team please refer to the following published articles:
 
 - D Sangalli, et al. "Many-body perturbation theory calculations using the yambo code",
   Journal of physics: Condensed matter 31 (32), 325902 (2019)
 
+- A Marini, et al. "Yambo: an ab initio tool for excited state calculations",
+  Computer Physics Communications 180 (8), 1392 (2009)
+
 For more info please refer to the README file

Makefile

@@ -34,8 +34,6 @@ changelog:
 	./sbin/gitchangelog.py > ChangeLog
 interfaces:
 	@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"; exit 1;fi ; done
 core:
 	@for target in $(CORE)     ; do $(MAKE) $(MAKEFLAGS) $$target; if test ! -f "$(bindir)/$$target"; then echo "$$target build failed"; exit 1;fi ; done
 ph-project:

README.md

@@ -1,3 +1,6 @@
+## Lumen
+Lumen is a GPL code derived from Yambo 5.3. Here below the readme file from Yambo
+
 ## Yambo
 This is the distribution of the Yambo code.
 Yambo doesn't stand for anything like "Yet Another Many-Body cOde", for instance.  Unless you really want it to. 

config/configure.ac

@@ -255,6 +255,7 @@ m4_include([config/m4/iotk.m4])
 m4_include([config/m4/etsf_io.m4])
 m4_include([config/m4/scalapack.m4])
 m4_include([config/m4/petsc_slepc.m4])
+m4_include([config/m4/magma.m4])
 m4_include([config/m4/libcuda.m4])
 m4_include([config/m4/device_xlib.m4])
 #
@@ -303,11 +304,14 @@ ACX_LIBCUDA
 # CUDA
 AC_SET_GPU
 # ============================================================================
+# Diago library
+AC_LDIAGO
+# ============================================================================
 # Device XLIB
 ACX_DEVXLIB
 # ============================================================================
-# Yambo Libs
-AC_YDIAGO
+# MAGMA
+AC_MAGMA_SETUP
 # ============================================================================
 # Prepare the REPORT file variables
 ACX_REPORT()

config/m4/acx_fortran_flags.m4

@@ -88,7 +88,12 @@ i?86*linux*)
        CPU_FLAG="-xHost"
        #CPU_FLAG=" "
        ;;
-      *2021* | *2022* | *2023* | *2024* | *2025* )
+      *2025* )
+       CPU_FLAG=" "
+       OMPFLAGS="-qopenmp"
+       FCMFLAG="-nofor-main"
+       ;;
+      *2021* | *2022* | *2023* | *2024* )
        CPU_FLAG=" "
        OMPFLAGS="-qopenmp -parallel"
        FCMFLAG="-nofor-main"
@@ -338,7 +343,13 @@ aarch*linux* | arm*linux* )
        #CPU_FLAG="-xHost"
        CPU_FLAG=" "
        ;;
-      *2020* | *2021* | *2022* | *2023* | *2024* | *2025* )
+      *2025* )
+       CPU_FLAG=" "
+       OMPFLAGS="-qopenmp"
+       FCMFLAG="-nofor-main"
+       CFLAGS="-O2 -std=gnu99"
+       ;;
+      *2020* | *2021* | *2022* | *2023* | *2024* )
        CPU_FLAG=" "
        OMPFLAGS="-qopenmp -parallel"
        FCMFLAG="-nofor-main"