From 3b06498c2f1b3d9d563e7675a7f25ab9032b87bf Mon Sep 17 00:00:00 2001
From: Martin Diehl <mail@martin-diehl.net>
Date: Tue, 27 Jul 2021 07:28:35 +0200
Subject: [PATCH] make results self-contained for reproducibility

ToDo: same functionality for load and geom
---
 src/config.f90  | 45 ++++++++++++++++++++++++++++++++++-----------
 src/results.f90 |  2 ++
 2 files changed, 36 insertions(+), 11 deletions(-)

diff --git a/src/config.f90 b/src/config.f90
index 7d75cb444..8ee25182f 100644
--- a/src/config.f90
+++ b/src/config.f90
@@ -8,7 +8,8 @@ module config
   use IO
   use YAML_parse
   use YAML_types
-
+  use results
+  use parallelization
 
   implicit none
   private
@@ -31,6 +32,7 @@ subroutine config_init
 
   print'(/,a)', ' <<<+-  config init  -+>>>'; flush(IO_STDOUT)
 
+
   call parse_material
   call parse_numerics
   call parse_debug
@@ -41,14 +43,21 @@ end subroutine config_init
 !--------------------------------------------------------------------------------------------------
 !> @brief Read material.yaml or <jobname>.yaml.
 !--------------------------------------------------------------------------------------------------
-subroutine parse_material
+subroutine parse_material()
 
   logical :: fileExists
+  character(len=:), allocatable :: fileContent
 
 
   inquire(file='material.yaml',exist=fileExists)
   if(.not. fileExists) call IO_error(100,ext_msg='material.yaml')
   print*, 'reading material.yaml'; flush(IO_STDOUT)
+  fileContent = IO_read('material.yaml')
+  if (worldrank == 0) then
+    call results_openJobFile(parallel=.false.)
+    call results_writeDataset_str(fileContent,'setup','material.yaml','DAMASK main configuration')
+    call results_closeJobFile
+  endif
   config_material => YAML_parse_file('material.yaml')
 
 end subroutine parse_material
@@ -57,15 +66,22 @@ end subroutine parse_material
 !--------------------------------------------------------------------------------------------------
 !> @brief Read numerics.yaml.
 !--------------------------------------------------------------------------------------------------
-subroutine parse_numerics
+subroutine parse_numerics()
 
-  logical :: fexist
+  logical :: fileExists
+  character(len=:), allocatable :: fileContent
 
 
   config_numerics => emptyDict
-  inquire(file='numerics.yaml', exist=fexist)
-  if (fexist) then
+  inquire(file='numerics.yaml', exist=fileExists)
+  if (fileExists) then
     print*, 'reading numerics.yaml'; flush(IO_STDOUT)
+    fileContent = IO_read('numerics.yaml')
+    if (worldrank == 0) then
+      call results_openJobFile(parallel=.false.)
+      call results_writeDataset_str(fileContent,'setup','numerics.yaml','numerics configuration (optional)')
+      call results_closeJobFile
+    endif
     config_numerics => YAML_parse_file('numerics.yaml')
   endif
 
@@ -75,17 +91,24 @@ end subroutine parse_numerics
 !--------------------------------------------------------------------------------------------------
 !> @brief Read debug.yaml.
 !--------------------------------------------------------------------------------------------------
-subroutine parse_debug
+subroutine parse_debug()
 
-  logical :: fexist
+  logical :: fileExists
+  character(len=:), allocatable :: fileContent
 
 
   config_debug => emptyDict
-  inquire(file='debug.yaml', exist=fexist)
-  fileExists: if (fexist) then
+  inquire(file='debug.yaml', exist=fileExists)
+  if (fileExists) then
     print*, 'reading debug.yaml'; flush(IO_STDOUT)
+    fileContent = IO_read('debug.yaml')
+    if (worldrank == 0) then
+      call results_openJobFile(parallel=.false.)
+      call results_writeDataset_str(fileContent,'setup','debug.yaml','debug configuration (optional)')
+      call results_closeJobFile
+    endif
     config_debug => YAML_parse_file('debug.yaml')
-  endif fileExists
+  endif
 
 end subroutine parse_debug
 
diff --git a/src/results.f90 b/src/results.f90
index ef6298151..8b04800ef 100644
--- a/src/results.f90
+++ b/src/results.f90
@@ -82,6 +82,8 @@ subroutine results_init(restart)
     call results_addAttribute('call',trim(commandLine))
     call results_closeGroup(results_addGroup('cell_to'))
     call results_addAttribute('description','mappings to place data in space','cell_to')
+    call results_closeGroup(results_addGroup('setup'))
+    call results_addAttribute('description','input data used to run the simulation','setup')
     call results_closeJobFile
   endif