Merge branch 'modernize-testing' into 'development'

Modernize testing

See merge request damask/DAMASK!280

.gitlab-ci.yml

@@ -187,8 +187,6 @@ grid_mech_compile_Intel:
   stage: compilePETSc
   script:
     - module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel
-    - cp -r grid_mech_compile grid_mech_compile_Intel
-    - grid_mech_compile_Intel/test.py
     - cd pytest
     - pytest -k 'compile and grid' --basetemp=${TESTROOT}/compile_grid_Intel
   except:
@@ -199,8 +197,6 @@ Compile_FEM_Intel:
   stage: compilePETSc
   script:
     - module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel
-    - cp -r FEM_compile FEM_compile_Intel
-    - FEM_compile_Intel/test.py
     - cd pytest
     - pytest -k 'compile and mesh' --basetemp=${TESTROOT}/compile_mesh_Intel
   except:
@@ -211,8 +207,6 @@ grid_mech_compile_GNU:
   stage: compilePETSc
   script:
     - module load $GNUCompiler $MPICH_GNU $PETSc_MPICH_GNU
-    - cp -r grid_mech_compile grid_mech_compile_GNU
-    - grid_mech_compile_GNU/test.py
     - cd pytest
     - pytest -k 'compile and grid' --basetemp=${TESTROOT}/compile_grid_GNU
   except:
@@ -223,8 +217,6 @@ Compile_FEM_GNU:
   stage: compilePETSc
   script:
     - module load $GNUCompiler $MPICH_GNU $PETSc_MPICH_GNU
-    - cp -r FEM_compile FEM_compile_GNU
-    - FEM_compile_GNU/test.py
     - cd pytest
     - pytest -k 'compile and mesh' --basetemp=${TESTROOT}/compile_mesh_GNU
   except:
@@ -274,22 +266,6 @@ Nonlocal_Damage_DetectChanges:
     - master
     - release
 
-grid_all_restart:
-  stage: grid
-  script: grid_all_restart/test.py
-  except:
-    - master
-    - release
-
-grid_all_restartMPI:
-  stage: grid
-  script:
-    - module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel
-    - grid_all_restartMPI/test.py
-  except:
-    - master
-    - release
-
 Plasticity_DetectChanges:
   stage: grid
   script: Plasticity_DetectChanges/test.py

PRIVATE

@@ -1 +1 @@
-Subproject commit 281e7eb84f76a2974a50eb54faf35ea25ec89b20
+Subproject commit 2105ed1c6e4800050010ca4d73b1882022f81551

processing/pre/geom_fromMinimalSurface.py

@@ -1,69 +0,0 @@
-#!/usr/bin/env python3
-
-import os
-import sys
-from optparse import OptionParser
-
-import damask
-
-
-scriptName = os.path.splitext(os.path.basename(__file__))[0]
-scriptID   = ' '.join([scriptName,damask.version])
-
-
-minimal_surfaces = list(damask.Geom._minimal_surface.keys())
-
-# --------------------------------------------------------------------
-#                                MAIN
-# --------------------------------------------------------------------
-
-parser = OptionParser(option_class=damask.extendableOption, usage='%prog options [geomfile]', description = """
-Generate a bicontinuous structure of given type.
-
-""", version = scriptID)
-
-
-parser.add_option('-t','--type',
-                  dest = 'type',
-                  choices = minimal_surfaces, metavar = 'string',
-                  help = 'type of minimal surface [primitive] {%s}' %(','.join(minimal_surfaces)))
-parser.add_option('-f','--threshold',
-                  dest = 'threshold',
-                  type = 'float', metavar = 'float',
-                  help = 'threshold value defining minimal surface [%default]')
-parser.add_option('-g', '--grid',
-                  dest = 'grid',
-                  type = 'int', nargs = 3, metavar = 'int int int',
-                  help = 'a,b,c grid of hexahedral box [%default]')
-parser.add_option('-s', '--size',
-                  dest = 'size',
-                  type = 'float', nargs = 3, metavar = 'float float float',
-                  help = 'x,y,z size of hexahedral box [%default]')
-parser.add_option('-p', '--periods',
-                  dest = 'periods',
-                  type = 'int', metavar = 'int',
-                  help = 'number of repetitions of unit cell [%default]')
-parser.add_option('--m',
-                  dest = 'microstructure',
-                  type = 'int', nargs = 2, metavar = 'int int',
-                  help = 'two microstructure indices to be used [%default]')
-
-parser.set_defaults(type = minimal_surfaces[0],
-                    threshold = 0.0,
-                    periods = 1,
-                    grid = (16,16,16),
-                    size = (1.0,1.0,1.0),
-                    microstructure = (1,2),
-                   )
-
-(options,filename) = parser.parse_args()
-
-
-name = None if filename == [] else filename[0]
-damask.util.report(scriptName,name)
-
-geom=damask.Geom.from_minimal_surface(options.grid,options.size,options.type,options.threshold,
-                                      options.periods,options.microstructure)
-damask.util.croak(geom)
-
-geom.save_ASCII(sys.stdout if name is None else name)

python/damask/_environment.py

@@ -3,10 +3,6 @@ from pathlib import Path
 
 class Environment:
 
-    def __init__(self):
-        """Do Nothing."""
-        pass
-
     @property
     def screen_size(self):
         width  = 1024
@@ -43,8 +39,3 @@ class Environment:
     def root_dir(self):
         """Return DAMASK root path."""
         return Path(__file__).parents[2]
-
-
-    # for compatibility
-    def rootDir(self):
-        return str(self.root_dir)

python/damask/_table.py

@@ -31,7 +31,7 @@ class Table:
 
     def __repr__(self):
         """Brief overview."""
-        return util.srepr(self.comments)+'\n'+self.data.__repr__()
+        return '\n'.join(['# '+c for c in self.comments])+'\n'+self.data.__repr__()
 
     def __len__(self):
         """Number of rows."""
@@ -159,7 +159,7 @@ class Table:
         comments = [util.execution_stamp('Table','from_ang')]
         for line in content:
             if line.startswith('#'):
-                comments.append(line.strip())
+                comments.append(line.split('#',1)[1].strip())
             else:
                 break
 
@@ -222,6 +222,7 @@ class Table:
             dup.data[label]       = data.reshape(dup.data[label].shape)
         return dup
 
+
     def add(self,label,data,info=None):
         """
         Add column data.

src/DAMASK_interface.f90

@@ -127,9 +127,9 @@ subroutine DAMASK_interface_init
     if (err /= 0) call quit(1)
     select case(trim(arg))                                                                          ! extract key
       case ('-h','--help')
-        print'(a)',  ' #######################################################################'
+        print'(/,a)',' #######################################################################'
         print'(a)',  ' DAMASK Command Line Interface:'
-        print'(a)',  ' For PETSc-based solvers for the Düsseldorf Advanced Material Simulation Kit'
+        print'(a)',  ' Düsseldorf Advanced Material Simulation Kit with PETSc-based solvers'
         print'(a,/)',' #######################################################################'
         print'(a,/)',' Valid command line switches:'
         print'(a)',  '    --geom         (-g, --geometry)'

src/grid/grid_mech_spectral_polarisation.f90

@@ -498,7 +498,7 @@ subroutine converged(snes_local,PETScIter,devNull1,devNull2,devNull3,reason,dumm
             err_div/divTol,  ' (',err_div, ' / m, tol = ',divTol,')'
   print  '(a,f12.2,a,es8.2,a,es9.2,a)', ' error curl       = ', &
             err_curl/curlTol,' (',err_curl,' -,   tol = ',curlTol,')'
-  print  '(a,f12.2,a,es8.2,a,es9.2,a)', ' error stress BC         = ', &
+  print  '(a,f12.2,a,es8.2,a,es9.2,a)', ' error stress BC  = ', &
             err_BC/BCTol,    ' (',err_BC,  ' Pa,  tol = ',BCTol,')'
   print'(/,a)', ' ==========================================================================='
   flush(IO_STDOUT)

src/mesh/DAMASK_mesh.f90

@@ -110,7 +110,8 @@ program DAMASK_mesh
     enddo                                                                                           ! count all identifiers to allocate memory and do sanity check
   enddo
 
-  allocate (loadCases(N_def))         
+  if(N_def < 1) call IO_error(error_ID = 837)
+  allocate(loadCases(N_def))
 
   do i = 1, size(loadCases)
     allocate(loadCases(i)%fieldBC(nActiveFields))
@@ -161,7 +162,7 @@ program DAMASK_mesh
           do faceSet = 1, mesh_Nboundaries
             if (mesh_boundaries(faceSet) == currentFace) currentFaceSet = faceSet
           enddo
-          if (currentFaceSet < 0) call IO_error(error_ID = errorID, ext_msg = 'invalid BC')  
+          if (currentFaceSet < 0) call IO_error(error_ID = 837, ext_msg = 'invalid BC')
         case('t','time','delta')                                                                    ! increment time
           loadCases(currentLoadCase)%time = IO_floatValue(line,chunkPos,i+1)
         case('n','incs','increments','steps')                                                       ! number of increments

src/mesh/discretization_mesh.f90

@@ -17,6 +17,7 @@ module discretization_mesh
   use IO
   use config
   use discretization
+  use results
   use FEsolving
   use FEM_quadrature
   use YAML_types
@@ -182,6 +183,10 @@ subroutine discretization_mesh_init(restart)
                            reshape(mesh_ipCoordinates,[3,mesh_maxNips*mesh_NcpElems]), &
                            mesh_node0)
 
+  call results_openJobFile
+  call results_closeGroup(results_addGroup('geometry'))
+  call results_closeJobFile
+
 end subroutine discretization_mesh_init