From 501465dfd1d6d456faed9c49032297dd474537d4 Mon Sep 17 00:00:00 2001
From: Martin Diehl <mail@martin-diehl.net>
Date: Fri, 17 Dec 2021 09:42:10 +0100
Subject: [PATCH 01/18] more alpha releases than expected

hopefully, all DAMASK 2 users have been migrated once 3.0 is released
---
 python/damask/_grid.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/python/damask/_grid.py b/python/damask/_grid.py
index 135cc6b66..d852f0642 100644
--- a/python/damask/_grid.py
+++ b/python/damask/_grid.py
@@ -197,7 +197,7 @@ class Grid:
             Grid-based geometry from file.
 
         """
-        warnings.warn('Support for ASCII-based geom format will be removed in DAMASK 3.1.0', DeprecationWarning,2)
+        warnings.warn('Support for ASCII-based geom format will be removed in DAMASK 3.0.0', DeprecationWarning,2)
         try:
             f = open(fname)
         except TypeError:
@@ -629,7 +629,7 @@ class Grid:
             Compress geometry with 'x of y' and 'a to b'.
 
         """
-        warnings.warn('Support for ASCII-based geom format will be removed in DAMASK 3.1.0', DeprecationWarning,2)
+        warnings.warn('Support for ASCII-based geom format will be removed in DAMASK 3.0.0', DeprecationWarning,2)
         header =  [f'{len(self.comments)+4} header'] + self.comments \
                 + ['grid   a {} b {} c {}'.format(*self.cells),
                    'size   x {} y {} z {}'.format(*self.size),

From 0b6af19e5468d4867baba1e7b512363eb71fbffb Mon Sep 17 00:00:00 2001
From: Martin Diehl <mail@martin-diehl.net>
Date: Fri, 17 Dec 2021 09:47:58 +0100
Subject: [PATCH 02/18] use of keywords is more intuitive

code needs cleaning after revoming of 'what' and 'datasets'. For the
moment, keep the old style for compatibility with existing evaluation
scripts
---
 python/damask/_result.py    | 115 +++++++++++++++++++++++++++++-------
 python/tests/test_Result.py |  22 +++----
 2 files changed, 104 insertions(+), 33 deletions(-)

diff --git a/python/damask/_result.py b/python/damask/_result.py
index 141b795c2..981b0dcb3 100644
--- a/python/damask/_result.py
+++ b/python/damask/_result.py
@@ -4,6 +4,7 @@ import fnmatch
 import os
 import copy
 import datetime
+import warnings
 import xml.etree.ElementTree as ET
 import xml.dom.minidom
 from pathlib import Path
@@ -27,6 +28,20 @@ h5py3 = h5py.__version__[0] == '3'
 
 chunk_size = 1024**2//8                                                                             # for compression in HDF5
 
+def _view_transition(what,datasets,increments,times,phases,homogenizations,fields):
+    if (datasets is not None and what is None) or (what is not None and datasets is None):
+        raise ValueError('"what" and "datasets" need to be used as a pair')
+    if datasets is not None or what is not None:
+        warnings.warn('Arguments "what" and "datasets" will be removed in DAMASK v3.0.0-alpha7', DeprecationWarning,2)
+        return what,datasets
+    if sum(1 for _ in filter(None.__ne__, [increments,times,phases,homogenizations,fields])) > 1:
+        raise ValueError('Only one out of "increments", "times", "phases", "homogenizations", and "fields" can be used')
+    else:
+        if increments is not None: return "increments", increments
+        if times is not None: return "times", times
+        if phases is not None: return "phases", phases
+        if homogenizations is not None: return "homogenizations", homogenizations
+        if fields is not None: return "fields", fields
 
 def _read(dataset):
     """Read a dataset and its metadata into a numpy.ndarray."""
@@ -79,7 +94,7 @@ class Result:
     >>> r.add_Cauchy()
     >>> r.add_equivalent_Mises('sigma')
     >>> r.export_VTK()
-    >>> r_last = r.view('increments',-1)
+    >>> r_last = r.view(increments=-1)
     >>> sigma_vM_last = r_last.get('sigma_vM')
 
     """
@@ -155,10 +170,10 @@ class Result:
         """Show summary of file content."""
         visible_increments = self.visible['increments']
 
-        first = self.view('increments',visible_increments[0:1]).list_data()
+        first = self.view(increments=visible_increments[0:1]).list_data()
 
         last  = '' if len(visible_increments) < 2 else \
-                self.view('increments',visible_increments[-1:]).list_data()
+                self.view(increments=visible_increments[-1:]).list_data()
 
         in_between = '' if len(visible_increments) < 3 else \
                      ''.join([f'\n{inc}\n  ...\n' for inc in visible_increments[1:-1]])
@@ -285,7 +300,6 @@ class Result:
                 selected.append(self.increments[i])
         return selected
 
-
     def times_in_range(self,start,end):
         """
         Get all increments within a given time range.
@@ -310,17 +324,35 @@ class Result:
         return selected
 
 
-    def view(self,what,datasets):
+    def view(self,what=None,datasets=None,*,
+                  increments=None,
+                  times=None,
+                  phases=None,
+                  homogenizations=None,
+                  fields=None):
         """
         Set view.
 
+        Wildcard matching with '?' and '*' is supported.
+        True is equivalent to '*', False is equivalent to [].
+
         Parameters
         ----------
         what : {'increments', 'times', 'phases', 'homogenizations', 'fields'}
-            Attribute to change.
+            Attribute to change. DEPRECATED.
         datasets : (list of) int (for increments), (list of) float (for times), (list of) str, or bool
-            Name of datasets; supports '?' and '*' wildcards.
+            Name of datasets; supports '?' and '*' wildcards. DEPRECATED.
             True is equivalent to '*', False is equivalent to [].
+        increments: (list of) int, (list of) str, or bool, optional.
+            Number(s) of increments to select.
+        times: (list of) float, (list of) str, or bool, optional.
+            Simulation time(s) of increments to select.
+        phases: (list of) str, or bool, optional.
+            Name(s) of phases to select.
+        homogenizations: (list of) str, or bool, optional.
+            Name(s) of homogenizations to select.
+        fields: (list of) str, or bool, optional.
+            Name(s) of fields to select.
 
         Returns
         -------
@@ -333,29 +365,48 @@ class Result:
 
         >>> import damask
         >>> r = damask.Result('my_file.hdf5')
-        >>> r_first = r.view('increment',0)
+        >>> r_first = r.view(increment=0)
 
         Get a view that shows all results between simulation times of 10 to 40:
 
         >>> import damask
         >>> r = damask.Result('my_file.hdf5')
-        >>> r_t10to40 = r.view('times',r.times_in_range(10.0,40.0))
+        >>> r_t10to40 = r.view(times=r.times_in_range(10.0,40.0))
 
         """
-        return self._manage_view('set',what,datasets)
+        what_, datasets_ = _view_transition(what,datasets,increments,times,phases,homogenizations,fields)
+        return self._manage_view('set',what_,datasets_)
 
 
-    def view_more(self,what,datasets):
+    def view_more(self,what=None,datasets=None,*,
+                  increments=None,
+                  times=None,
+                  phases=None,
+                  homogenizations=None,
+                  fields=None):
         """
         Add to view.
 
+        Wildcard matching with '?' and '*' is supported.
+        True is equivalent to '*', False is equivalent to [].
+
         Parameters
         ----------
         what : {'increments', 'times', 'phases', 'homogenizations', 'fields'}
-            Attribute to change.
+            Attribute to change. DEPRECATED.
         datasets : (list of) int (for increments), (list of) float (for times), (list of) str, or bool
-            Name of datasets; supports '?' and '*' wildcards.
+            Name of datasets; supports '?' and '*' wildcards. DEPRECATED.
             True is equivalent to '*', False is equivalent to [].
+        increments: (list of) int, (list of) str, or bool, optional.
+            Number(s) of increments to select.
+        times: (list of) float, (list of) str, or bool, optional.
+            Simulation time(s) of increments to select.
+        phases: (list of) str, or bool, optional.
+            Name(s) of phases to select.
+        homogenizations: (list of) str, or bool, optional.
+            Name(s) of homogenizations to select.
+        fields: (list of) str, or bool, optional.
+            Name(s) of fields to select.
 
         Returns
         -------
@@ -367,25 +418,44 @@ class Result:
         Get a view that shows only results from first and last increment:
 
         >>> import damask
-        >>> r_empty = damask.Result('my_file.hdf5').view('increments',False)
-        >>> r_first = r_empty.view_more('increments',0)
-        >>> r_first_and_last = r.first.view_more('increments',-1)
+        >>> r_empty = damask.Result('my_file.hdf5').view(increments=False)
+        >>> r_first = r_empty.view_more(increments=0)
+        >>> r_first_and_last = r.first.view_more(increments=-1)
 
         """
-        return self._manage_view('add',what,datasets)
+        what_, datasets_ = _view_transition(what,datasets,increments,times,phases,homogenizations,fields)
+        return self._manage_view('add',what_,datasets_)
 
 
-    def view_less(self,what,datasets):
+    def view_less(self,what=None,datasets=None,*,
+                  increments=None,
+                  times=None,
+                  phases=None,
+                  homogenizations=None,
+                  fields=None):
         """
         Remove from view.
 
+        Wildcard matching with '?' and '*' is supported.
+        True is equivalent to '*', False is equivalent to [].
+
         Parameters
         ----------
         what : {'increments', 'times', 'phases', 'homogenizations', 'fields'}
-            Attribute to change.
+            Attribute to change. DEPRECATED.
         datasets : (list of) int (for increments), (list of) float (for times), (list of) str, or bool
-            Name of datasets; supports '?' and '*' wildcards.
+            Name of datasets; supports '?' and '*' wildcards. DEPRECATED.
             True is equivalent to '*', False is equivalent to [].
+        increments: (list of) int, (list of) str, or bool, optional.
+            Number(s) of increments to select.
+        times: (list of) float, (list of) str, or bool, optional.
+            Simulation time(s) of increments to select.
+        phases: (list of) str, or bool, optional.
+            Name(s) of phases to select.
+        homogenizations: (list of) str, or bool, optional.
+            Name(s) of homogenizations to select.
+        fields: (list of) str, or bool, optional.
+            Name(s) of fields to select.
 
         Returns
         -------
@@ -398,10 +468,11 @@ class Result:
 
         >>> import damask
         >>> r_all = damask.Result('my_file.hdf5')
-        >>> r_deformed = r_all.view_less('increments',0)
+        >>> r_deformed = r_all.view_less(increments=0)
 
         """
-        return self._manage_view('del',what,datasets)
+        what_, datasets_ = _view_transition(what,datasets,increments,times,phases,homogenizations,fields)
+        return self._manage_view('del',what_,datasets_)
 
 
     def rename(self,name_src,name_dst):
diff --git a/python/tests/test_Result.py b/python/tests/test_Result.py
index 3f2555aec..3bc363ebc 100644
--- a/python/tests/test_Result.py
+++ b/python/tests/test_Result.py
@@ -25,7 +25,7 @@ def default(tmp_path,ref_path):
     fname = '12grains6x7x8_tensionY.hdf5'
     shutil.copy(ref_path/fname,tmp_path)
     f = Result(tmp_path/fname)
-    return f.view('times',20.0)
+    return f.view(times=20.0)
 
 @pytest.fixture
 def single_phase(tmp_path,ref_path):
@@ -58,14 +58,14 @@ class TestResult:
 
 
     def test_view_all(self,default):
-        a = default.view('increments',True).get('F')
+        a = default.view(increments=True).get('F')
 
-        assert dict_equal(a,default.view('increments','*').get('F'))
-        assert dict_equal(a,default.view('increments',default.increments_in_range(0,np.iinfo(int).max)).get('F'))
+        assert dict_equal(a,default.view(increments='*').get('F'))
+        assert dict_equal(a,default.view(increments=default.increments_in_range(0,np.iinfo(int).max)).get('F'))
 
-        assert dict_equal(a,default.view('times',True).get('F'))
-        assert dict_equal(a,default.view('times','*').get('F'))
-        assert dict_equal(a,default.view('times',default.times_in_range(0.0,np.inf)).get('F'))
+        assert dict_equal(a,default.view(times=True).get('F'))
+        assert dict_equal(a,default.view(times='*').get('F'))
+        assert dict_equal(a,default.view(times=default.times_in_range(0.0,np.inf)).get('F'))
 
     @pytest.mark.parametrize('what',['increments','times','phases','fields'])                       # ToDo: discuss homogenizations
     def test_view_none(self,default,what):
@@ -314,7 +314,7 @@ class TestResult:
 
     @pytest.mark.parametrize('overwrite',['off','on'])
     def test_add_overwrite(self,default,overwrite):
-        last = default.view('increments',-1)
+        last = default.view(increments=-1)
 
         last.add_stress_Cauchy()
 
@@ -377,7 +377,7 @@ class TestResult:
     @pytest.mark.parametrize('inc',[4,0],ids=range(2))
     @pytest.mark.xfail(int(vtk.vtkVersion.GetVTKVersion().split('.')[0])<9, reason='missing "Direction" attribute')
     def test_vtk(self,request,tmp_path,ref_path,update,patch_execution_stamp,patch_datetime_now,output,fname,inc):
-        result = Result(ref_path/fname).view('increments',inc)
+        result = Result(ref_path/fname).view(increments=inc)
         os.chdir(tmp_path)
         result.export_VTK(output,parallel=False)
         fname = fname.split('.')[0]+f'_inc{(inc if type(inc) == int else inc[0]):0>2}.vti'
@@ -400,7 +400,7 @@ class TestResult:
         result.export_VTK(output,mode)
 
     def test_marc_coordinates(self,ref_path):
-        result = Result(ref_path/'check_compile_job1.hdf5').view('increments',-1)
+        result = Result(ref_path/'check_compile_job1.hdf5').view(increments=-1)
         c_n = result.coordinates0_node + result.get('u_n')
         c_p = result.coordinates0_point + result.get('u_p')
         assert len(c_n) > len(c_p)
@@ -440,7 +440,7 @@ class TestResult:
         dim_xdmf = reader_xdmf.GetOutput().GetDimensions()
         bounds_xdmf = reader_xdmf.GetOutput().GetBounds()
 
-        single_phase.view('increments',0).export_VTK(parallel=False)
+        single_phase.view(increments=0).export_VTK(parallel=False)
         fname = os.path.splitext(os.path.basename(single_phase.fname))[0]+'_inc00.vti'
         reader_vti = vtk.vtkXMLImageDataReader()
         reader_vti.SetFileName(fname)

From c1eabc33846df7a1e77e366fe443b1df29576cb3 Mon Sep 17 00:00:00 2001
From: Martin Diehl <mail@martin-diehl.net>
Date: Fri, 17 Dec 2021 10:31:41 +0100
Subject: [PATCH 03/18] simplified interface

---
 python/damask/_result.py    | 58 +++++++++++++++----------------------
 python/tests/test_Result.py | 10 +++----
 2 files changed, 28 insertions(+), 40 deletions(-)

diff --git a/python/damask/_result.py b/python/damask/_result.py
index 981b0dcb3..2453001a6 100644
--- a/python/damask/_result.py
+++ b/python/damask/_result.py
@@ -246,36 +246,6 @@ class Result:
         return dup
 
 
-    def modification_enable(self):
-        """
-        Allow modification of existing data.
-
-        Returns
-        -------
-        modified_view : damask.Result
-            View without write-protection of existing data.
-
-        """
-        print(util.warn('Warning: Modification of existing datasets allowed!'))
-        dup = self.copy()
-        dup._allow_modification = True
-        return dup
-
-    def modification_disable(self):
-        """
-        Prevent modification of existing data (default case).
-
-        Returns
-        -------
-        modified_view : damask.Result
-            View with write-protection of existing data.
-
-        """
-        dup = self.copy()
-        dup._allow_modification = False
-        return dup
-
-
     def increments_in_range(self,start,end):
         """
         Get all increments within a given range.
@@ -329,7 +299,8 @@ class Result:
                   times=None,
                   phases=None,
                   homogenizations=None,
-                  fields=None):
+                  fields=None,
+                  protected=None):
         """
         Set view.
 
@@ -353,6 +324,8 @@ class Result:
             Name(s) of homogenizations to select.
         fields: (list of) str, or bool, optional.
             Name(s) of fields to select.
+        protected: bool, optional.
+            Protection status of existing data.
 
         Returns
         -------
@@ -374,8 +347,23 @@ class Result:
         >>> r_t10to40 = r.view(times=r.times_in_range(10.0,40.0))
 
         """
-        what_, datasets_ = _view_transition(what,datasets,increments,times,phases,homogenizations,fields)
-        return self._manage_view('set',what_,datasets_)
+        v = _view_transition(what,datasets,increments,times,phases,homogenizations,fields)
+        if protected is not None:
+            if v == None:
+                dup = self.copy()
+            else:
+                what_,datasets_ = v
+                dup = self._manage_view('set',what_,datasets_)
+        else:
+            what_,datasets_ = v
+            dup = self._manage_view('set',what_,datasets_)
+
+        if protected is False:
+            dup._allow_modification = True
+        if protected is True:
+            print(util.warn('Warning: Modification of existing datasets allowed!'))
+            dup._allow_modification = False
+        return dup
 
 
     def view_more(self,what=None,datasets=None,*,
@@ -495,7 +483,7 @@ class Result:
 
         >>> import damask
         >>> r = damask.Result('my_file.hdf5')
-        >>> r_unprotected = r.modification_enable()
+        >>> r_unprotected = r.view(protected=False)
         >>> r_unprotected.rename('F','def_grad')
 
         """
@@ -534,7 +522,7 @@ class Result:
 
         >>> import damask
         >>> r = damask.Result('my_file.hdf5')
-        >>> r_unprotected = r.modification_enable()
+        >>> r_unprotected = r.view(protected=False)
         >>> r_unprotected.remove('F')
 
         """
diff --git a/python/tests/test_Result.py b/python/tests/test_Result.py
index 3bc363ebc..4fea08eb3 100644
--- a/python/tests/test_Result.py
+++ b/python/tests/test_Result.py
@@ -322,9 +322,9 @@ class TestResult:
         created_first = datetime.strptime(created_first,'%Y-%m-%d %H:%M:%S%z')
 
         if overwrite == 'on':
-            last = last.modification_enable()
+            last = last.view(protected=False)
         else:
-            last = last.modification_disable()
+            last = last.view(protected=True)
 
         time.sleep(2.)
         try:
@@ -344,10 +344,10 @@ class TestResult:
     def test_rename(self,default,allowed):
         if allowed == 'on':
             F = default.place('F')
-            default = default.modification_enable()
+            default = default.view(protected=False)
             default.rename('F','new_name')
             assert np.all(F == default.place('new_name'))
-            default = default.modification_disable()
+            default = default.view(protected=True)
 
         with pytest.raises(PermissionError):
             default.rename('P','another_new_name')
@@ -355,7 +355,7 @@ class TestResult:
     @pytest.mark.parametrize('allowed',['off','on'])
     def test_remove(self,default,allowed):
         if allowed == 'on':
-            unsafe = default.modification_enable()
+            unsafe = default.view(protected=False)
             unsafe.remove('F')
             assert unsafe.get('F') is None
         else:

From a1e42af8602a63f7c5d8fbaa1b71cdd5028f117a Mon Sep 17 00:00:00 2001
From: Martin Diehl <mail@martin-diehl.net>
Date: Fri, 17 Dec 2021 10:37:45 +0100
Subject: [PATCH 04/18] easier to understand

---
 python/damask/_result.py | 18 ++++++++----------
 1 file changed, 8 insertions(+), 10 deletions(-)

diff --git a/python/damask/_result.py b/python/damask/_result.py
index 2453001a6..019f9c87d 100644
--- a/python/damask/_result.py
+++ b/python/damask/_result.py
@@ -156,7 +156,7 @@ class Result:
 
         self.fname = Path(fname).absolute()
 
-        self._allow_modification = False
+        self._protected = True
 
 
     def __copy__(self):
@@ -349,20 +349,18 @@ class Result:
         """
         v = _view_transition(what,datasets,increments,times,phases,homogenizations,fields)
         if protected is not None:
-            if v == None:
+            if v is None:
                 dup = self.copy()
             else:
                 what_,datasets_ = v
                 dup = self._manage_view('set',what_,datasets_)
+            if protected is True:
+                print(util.warn('Warning: Modification of existing datasets allowed!'))
+            dup._protected = protected
         else:
             what_,datasets_ = v
             dup = self._manage_view('set',what_,datasets_)
 
-        if protected is False:
-            dup._allow_modification = True
-        if protected is True:
-            print(util.warn('Warning: Modification of existing datasets allowed!'))
-            dup._allow_modification = False
         return dup
 
 
@@ -487,7 +485,7 @@ class Result:
         >>> r_unprotected.rename('F','def_grad')
 
         """
-        if not self._allow_modification:
+        if self._protected:
             raise PermissionError('Renaming datasets not permitted')
 
         with h5py.File(self.fname,'a') as f:
@@ -526,7 +524,7 @@ class Result:
         >>> r_unprotected.remove('F')
 
         """
-        if not self._allow_modification:
+        if self._protected:
             raise PermissionError('Removing datasets not permitted')
 
         with h5py.File(self.fname,'a') as f:
@@ -1417,7 +1415,7 @@ class Result:
             lock.acquire()
             with h5py.File(self.fname, 'a') as f:
                 try:
-                    if self._allow_modification and '/'.join([group,result['label']]) in f:
+                    if not self._protected and '/'.join([group,result['label']]) in f:
                         dataset = f['/'.join([group,result['label']])]
                         dataset[...] = result['data']
                         dataset.attrs['overwritten'] = True

From 2fc25c6fa9d81783a15b2ab243e706954f3259ca Mon Sep 17 00:00:00 2001
From: Martin Diehl <mail@martin-diehl.net>
Date: Fri, 17 Dec 2021 14:28:12 +0100
Subject: [PATCH 05/18] correct reporting

---
 python/damask/_result.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/python/damask/_result.py b/python/damask/_result.py
index 019f9c87d..f47a7da80 100644
--- a/python/damask/_result.py
+++ b/python/damask/_result.py
@@ -354,7 +354,7 @@ class Result:
             else:
                 what_,datasets_ = v
                 dup = self._manage_view('set',what_,datasets_)
-            if protected is True:
+            if not protected:
                 print(util.warn('Warning: Modification of existing datasets allowed!'))
             dup._protected = protected
         else:

From 32e741ae2cc0f2e9c144ace41789d998d75aedba Mon Sep 17 00:00:00 2001
From: Sharan Roongta <s.roongta@mpie.de>
Date: Tue, 21 Dec 2021 15:54:46 +0100
Subject: [PATCH 06/18] elastic constants for bcc iron

---
 .../phase/mechanical/elastic/Hooke_Fe.yaml    | 24 +++++++++++++------
 1 file changed, 17 insertions(+), 7 deletions(-)

diff --git a/examples/config/phase/mechanical/elastic/Hooke_Fe.yaml b/examples/config/phase/mechanical/elastic/Hooke_Fe.yaml
index e736829a6..94e761aaf 100644
--- a/examples/config/phase/mechanical/elastic/Hooke_Fe.yaml
+++ b/examples/config/phase/mechanical/elastic/Hooke_Fe.yaml
@@ -1,9 +1,19 @@
 type: Hooke
 references:
-  - J.P. Hirth and J. Lothe,
-    Theory of Dislocations, 1982,
-    John Wiley & Sons,
-    page 837
-C_11: 242.e9
-C_12: 146.5e+9
-C_44: 112.e9
+  - D.J. Dever,
+    Journal of Applied Physics 43(8):3293-3301, 1972,
+    https://doi.org/10.1063/1.1661710
+
+T_ref: 300
+
+C_11: 231.7e+9
+C_11,T: -47.6e+6
+C_11,T^2: -54.4e+3
+
+C_12: 135.8e+9
+C_12,T: -12.9e+6
+C_12,T^2: -7.3e+3
+
+C_44: 116.8e+9
+C_44,T: -19.4e+6
+C_44,T^2: -2.5e+3

From 3e01f72daa09e48d9cf6402216ea40296ae35013 Mon Sep 17 00:00:00 2001
From: Test User <damask_user@mpie.de>
Date: Tue, 21 Dec 2021 22:19:29 +0100
Subject: [PATCH 07/18] [skip ci] updated version information after successful
 test of v3.0.0-alpha5-308-gb4f3ac457

---
 python/damask/VERSION | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/python/damask/VERSION b/python/damask/VERSION
index 42ae7a5db..290dfd544 100644
--- a/python/damask/VERSION
+++ b/python/damask/VERSION
@@ -1 +1 @@
-v3.0.0-alpha5-297-g5ecfba1e5
+v3.0.0-alpha5-308-gb4f3ac457

From dc5172ce6351450f5d220ad65a946875ca921ebc Mon Sep 17 00:00:00 2001
From: Martin Diehl <mail@martin-diehl.net>
Date: Wed, 22 Dec 2021 12:41:16 +0100
Subject: [PATCH 08/18] don't use deprecated functions

---
 python/tests/test_VTK.py | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/python/tests/test_VTK.py b/python/tests/test_VTK.py
index 26d1c4a53..68224ff33 100644
--- a/python/tests/test_VTK.py
+++ b/python/tests/test_VTK.py
@@ -20,7 +20,7 @@ def default():
     """Simple VTK."""
     cells = np.array([5,6,7],int)
     size  = np.array([.6,1.,.5])
-    return VTK.from_rectilinear_grid(cells,size)
+    return VTK.from_image_data(cells,size)
 
 class TestVTK:
 
@@ -116,7 +116,7 @@ class TestVTK:
 
     def test_add_extension(self,tmp_path,default):
         default.save(tmp_path/'default.txt',parallel=False)
-        assert os.path.isfile(tmp_path/'default.txt.vtr')
+        assert os.path.isfile(tmp_path/'default.txt.vti')
 
 
     def test_invalid_get(self,default):
@@ -160,7 +160,7 @@ class TestVTK:
     def test_comments(self,tmp_path,default):
         default.add_comments(['this is a comment'])
         default.save(tmp_path/'with_comments',parallel=False)
-        new = VTK.load(tmp_path/'with_comments.vtr')
+        new = VTK.load(tmp_path/'with_comments.vti')
         assert new.get_comments() == ['this is a comment']
 
     @pytest.mark.xfail(int(vtk.vtkVersion.GetVTKVersion().split('.')[0])<8, reason='missing METADATA')

From 6e833d2327b1bc4ea21cd95add449ccdde89fb28 Mon Sep 17 00:00:00 2001
From: Test User <damask_user@mpie.de>
Date: Wed, 22 Dec 2021 12:56:07 +0100
Subject: [PATCH 09/18] [skip ci] updated version information after successful
 test of v3.0.0-alpha5-311-g38d497819

---
 python/damask/VERSION | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/python/damask/VERSION b/python/damask/VERSION
index 290dfd544..cd791b3f1 100644
--- a/python/damask/VERSION
+++ b/python/damask/VERSION
@@ -1 +1 @@
-v3.0.0-alpha5-308-gb4f3ac457
+v3.0.0-alpha5-311-g38d497819

From 8c2266bc50bf57c2ca406dd5ce5f9926de829bf4 Mon Sep 17 00:00:00 2001
From: Martin Diehl <mail@martin-diehl.net>
Date: Thu, 23 Dec 2021 19:23:02 +0100
Subject: [PATCH 10/18] bugfix/workaround for failing pipelines on GitHub

credits to @miketimofeev and @mikhailkoliada for the fix
---
 .github/workflows/Python.yml | 7 ++++---
 1 file changed, 4 insertions(+), 3 deletions(-)

diff --git a/.github/workflows/Python.yml b/.github/workflows/Python.yml
index c4fb15bdc..4c199b81c 100644
--- a/.github/workflows/Python.yml
+++ b/.github/workflows/Python.yml
@@ -43,12 +43,13 @@ jobs:
           pip install pytest
 
       - name: Install dependencies
+        # https://github.com/actions/virtual-environments/issues/4790
         run: >
           sudo apt-get update &&
-          sudo apt-get install python3-pip python3-pytest python3-pandas python3-scipy
-          python3-h5py python3-vtk7 python3-matplotlib python3-yaml -y
+          sudo apt-get remove mysql* &&
+          sudo apt-get install python3-pandas python3-scipy python3-h5py python3-vtk7 python3-matplotlib python3-yaml -y
 
       - name: Run unit tests
         run: |
           export PYTHONPATH=${PWD}/python
-          COLUMNS=256 python -m pytest python
+          COLUMNS=256 pytest python

From 368f4ac9854c22e292754f9f4bc73ebbcc4e077b Mon Sep 17 00:00:00 2001
From: Test User <damask_user@mpie.de>
Date: Thu, 23 Dec 2021 22:35:44 +0100
Subject: [PATCH 11/18] [skip ci] updated version information after successful
 test of v3.0.0-alpha5-313-g8c2266bc5

---
 python/damask/VERSION | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/python/damask/VERSION b/python/damask/VERSION
index cd791b3f1..852dd348b 100644
--- a/python/damask/VERSION
+++ b/python/damask/VERSION
@@ -1 +1 @@
-v3.0.0-alpha5-311-g38d497819
+v3.0.0-alpha5-313-g8c2266bc5

From 68b34f6022a4bb5751a654cf6fbd69f3ce12cf52 Mon Sep 17 00:00:00 2001
From: Test User <damask_user@mpie.de>
Date: Sat, 25 Dec 2021 07:15:40 +0100
Subject: [PATCH 12/18] [skip ci] updated version information after successful
 test of v3.0.0-alpha5-316-gd8ef23fc9

---
 python/damask/VERSION | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/python/damask/VERSION b/python/damask/VERSION
index 852dd348b..4815547f4 100644
--- a/python/damask/VERSION
+++ b/python/damask/VERSION
@@ -1 +1 @@
-v3.0.0-alpha5-313-g8c2266bc5
+v3.0.0-alpha5-316-gd8ef23fc9

From ac7caa0a643337403f45bf212442d404129f759c Mon Sep 17 00:00:00 2001
From: Test User <damask_user@mpie.de>
Date: Sat, 25 Dec 2021 08:39:13 +0100
Subject: [PATCH 13/18] [skip ci] updated version information after successful
 test of v3.0.0-alpha5-323-g2ea293063

---
 python/damask/VERSION | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/python/damask/VERSION b/python/damask/VERSION
index 852dd348b..56ff18f14 100644
--- a/python/damask/VERSION
+++ b/python/damask/VERSION
@@ -1 +1 @@
-v3.0.0-alpha5-313-g8c2266bc5
+v3.0.0-alpha5-323-g2ea293063

From e34b8a632c616531b2ba84c53a8681c2ef18af6d Mon Sep 17 00:00:00 2001
From: Martin Diehl <mail@martin-diehl.net>
Date: Sat, 25 Dec 2021 13:11:45 +0100
Subject: [PATCH 14/18] new Intel compilers are available

---
 .gitlab-ci.yml             | 6 +++---
 cmake/Compiler-Intel.cmake | 2 +-
 2 files changed, 4 insertions(+), 4 deletions(-)

diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml
index 8ceb7575a..d60921b8c 100644
--- a/.gitlab-ci.yml
+++ b/.gitlab-ci.yml
@@ -36,13 +36,13 @@ variables:
   # Names of module files to load
   # ===============================================================================================
   # ++++++++++++ Compiler +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  COMPILER_INTEL: "Compiler/Intel/19.1.2 Libraries/IMKL/2020"
+  COMPILER_INTEL: "Compiler/Intel/2022.0.1 Libraries/IMKL/2022.0.1"
   COMPILER_GNU:   "Compiler/GNU/10"
   # ++++++++++++ MPI ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  MPI_INTEL:      "MPI/Intel/19.1.2/IntelMPI/2019"
+  MPI_INTEL:      "MPI/Intel/2022.0.1/IntelMPI/2021.5.0"
   MPI_GNU:        "MPI/GNU/10/OpenMPI/4.1.1"
   # ++++++++++++ PETSc ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  PETSC_INTEL:    "Libraries/PETSc/3.16.1/Intel-19.1.2-IntelMPI-2019"
+  PETSC_INTEL:    "Libraries/PETSc/3.16.2/Intel-2022.0.1-IntelMPI-2021.5.0"
   PETSC_GNU:      "Libraries/PETSc/3.16.1/GNU-10-OpenMPI-4.1.1"
   # ++++++++++++ MSC Marc +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
   MSC:            "FEM/MSC/2021.3.1"
diff --git a/cmake/Compiler-Intel.cmake b/cmake/Compiler-Intel.cmake
index 5b551069e..b964a31e6 100644
--- a/cmake/Compiler-Intel.cmake
+++ b/cmake/Compiler-Intel.cmake
@@ -106,7 +106,7 @@ set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0")
 #set (DEBUG_FLAGS "${DEBUG_FLAGS},stderrors")
 #   ... warnings about Fortran standard violations are changed to errors
 
-set (DEBUG_FLAGS "${DEBUG_FLAGS} -debug-parameters all")
+#set (DEBUG_FLAGS "${DEBUG_FLAGS} -debug-parameters all") 
 # generate debug information for parameters
 
 # Additional options

From a9293db1714d5c412848cf7ef6d67270eb503cc4 Mon Sep 17 00:00:00 2001
From: Martin Diehl <mail@martin-diehl.net>
Date: Sat, 25 Dec 2021 18:33:54 +0100
Subject: [PATCH 15/18] new LLVM-based Intel compilers work

quick test shows significant performance improvement
---
 CMakeLists.txt                 |   2 +
 cmake/Compiler-Intel.cmake     |   3 +-
 cmake/Compiler-IntelLLVM.cmake | 121 +++++++++++++++++++++++++++++++++
 3 files changed, 125 insertions(+), 1 deletion(-)
 create mode 100644 cmake/Compiler-IntelLLVM.cmake

diff --git a/CMakeLists.txt b/CMakeLists.txt
index 56416d0fd..e8b774cfc 100644
--- a/CMakeLists.txt
+++ b/CMakeLists.txt
@@ -82,6 +82,8 @@ if   (CMAKE_Fortran_COMPILER_ID STREQUAL "Intel")
     include(Compiler-Intel)
 elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
     include(Compiler-GNU)
+elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "IntelLLVM")
+    include(Compiler-IntelLLVM)
 else()
     message(FATAL_ERROR "Compiler type(CMAKE_Fortran_COMPILER_ID) not recognized")
 endif()
diff --git a/cmake/Compiler-Intel.cmake b/cmake/Compiler-Intel.cmake
index b964a31e6..3afffd2be 100644
--- a/cmake/Compiler-Intel.cmake
+++ b/cmake/Compiler-Intel.cmake
@@ -106,8 +106,9 @@ set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0")
 #set (DEBUG_FLAGS "${DEBUG_FLAGS},stderrors")
 #   ... warnings about Fortran standard violations are changed to errors
 
-#set (DEBUG_FLAGS "${DEBUG_FLAGS} -debug-parameters all") 
+#set (DEBUG_FLAGS "${DEBUG_FLAGS} -debug-parameters all")
 # generate debug information for parameters
+# Disabled due to ICE when compiling phase_damage.f90 (not understandable, there is no parameter in there)
 
 # Additional options
 # -heap-arrays:            Should not be done for OpenMP, but set "ulimit -s unlimited" on shell. Probably it helps also to unlimit other limits
diff --git a/cmake/Compiler-IntelLLVM.cmake b/cmake/Compiler-IntelLLVM.cmake
new file mode 100644
index 000000000..5cd6a0e63
--- /dev/null
+++ b/cmake/Compiler-IntelLLVM.cmake
@@ -0,0 +1,121 @@
+###################################################################################################
+# Intel Compiler
+###################################################################################################
+if (CMAKE_Fortran_COMPILER_VERSION VERSION_LESS 18.0)
+  message (FATAL_ERROR "Intel Compiler version: ${CMAKE_Fortran_COMPILER_VERSION} not supported")
+endif ()
+
+if (OPENMP)
+  set (OPENMP_FLAGS "-qopenmp -parallel")
+endif ()
+
+if (OPTIMIZATION STREQUAL "OFF")
+  set (OPTIMIZATION_FLAGS    "-O0 -no-ip")
+elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
+  set (OPTIMIZATION_FLAGS    "-O2")
+elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
+  set (OPTIMIZATION_FLAGS    "-ipo -O3 -no-prec-div -fp-model fast=2 -xHost")
+  # -fast = -ipo, -O3, -no-prec-div, -static, -fp-model fast=2, and -xHost"
+endif ()
+
+# -assume std_mod_proc_name (included in -standard-semantics) causes problems if other modules
+# (PETSc, HDF5) are not compiled with this option (https://software.intel.com/en-us/forums/intel-fortran-compiler-for-linux-and-mac-os-x/topic/62172)
+set (STANDARD_CHECK "-stand f18 -assume nostd_mod_proc_name")
+set (LINKER_FLAGS   "${LINKER_FLAGS} -shared-intel")
+# Link against shared Intel libraries instead of static ones
+
+#------------------------------------------------------------------------------------------------
+# Fine tuning compilation options
+set (COMPILE_FLAGS "${COMPILE_FLAGS} -fpp")
+# preprocessor
+
+set (COMPILE_FLAGS "${COMPILE_FLAGS} -ftz")
+# flush underflow to zero, automatically set if -O[1,2,3]
+
+set (COMPILE_FLAGS "${COMPILE_FLAGS} -diag-disable")
+# disables warnings ...
+set (COMPILE_FLAGS "${COMPILE_FLAGS} 5268")
+#   ... the text exceeds right hand column allowed on the line (we have only comments there)
+set (COMPILE_FLAGS "${COMPILE_FLAGS},7624")
+#   ... about deprecated forall (has nice syntax and most likely a performance advantage)
+
+set (COMPILE_FLAGS "${COMPILE_FLAGS} -warn")
+# enables warnings ...
+set (COMPILE_FLAGS "${COMPILE_FLAGS} declarations")
+#   ... any undeclared names (alternative name: -implicitnone)
+set (COMPILE_FLAGS "${COMPILE_FLAGS},general")
+#   ... warning messages and informational messages are issued by the compiler
+set (COMPILE_FLAGS "${COMPILE_FLAGS},usage")
+#   ... questionable programming practices
+set (COMPILE_FLAGS "${COMPILE_FLAGS},interfaces")
+#   ... checks the interfaces of all SUBROUTINEs called and FUNCTIONs invoked in your compilation against an external set of interface blocks
+set (COMPILE_FLAGS "${COMPILE_FLAGS},ignore_loc")
+#   ... %LOC is stripped from an actual argument
+set (COMPILE_FLAGS "${COMPILE_FLAGS},alignments")
+#   ... data that is not naturally aligned
+set (COMPILE_FLAGS "${COMPILE_FLAGS},unused")
+#   ... declared variables that are never used
+
+# Additional options
+#  -warn:                    enables warnings, where
+#     truncated_source:        Determines whether warnings occur when source exceeds the maximum column width in fixed-format files.
+#                               (too many warnings because we have comments beyond character 132)
+#     uncalled:                Determines whether warnings occur when a statement function is never called
+#     all:
+#  -name as_is: case sensitive Fortran!
+
+#------------------------------------------------------------------------------------------------
+# Runtime debugging
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -g")
+# Generate symbolic debugging information in the object file
+
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -traceback")
+# Generate extra information in the object file to provide source file traceback information when a severe error occurs at run time
+
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -gen-interfaces")
+# Generate an interface block for each routine. http://software.intel.com/en-us/blogs/2012/01/05/doctor-fortran-gets-explicit-again/
+
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -fp-stack-check")
+# Generate extra code after every function call to ensure that the floating-point (FP) stack is in the expected state
+
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -fp-model strict")
+# Trap uninitalized variables
+
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -check" )
+# Checks at runtime ...
+set (DEBUG_FLAGS "${DEBUG_FLAGS} bounds")
+#   ... if an array index is too small (<1) or too large!
+set (DEBUG_FLAGS "${DEBUG_FLAGS},format")
+#   ... for the data type of an item being formatted for output.
+set (DEBUG_FLAGS "${DEBUG_FLAGS},output_conversion")
+#   ... for the fit of data items within a designated format descriptor field.
+set (DEBUG_FLAGS "${DEBUG_FLAGS},pointers")
+#   ... for certain disassociated or uninitialized pointers or unallocated allocatable objects.
+set (DEBUG_FLAGS "${DEBUG_FLAGS},uninit")
+#   ... for uninitialized variables.
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -ftrapuv")
+#   ... initializes stack local variables to an unusual value to aid error detection
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -fpe-all=0")
+#   ... capture all floating-point exceptions, sets -ftz automatically
+
+# disable due to compiler bug https://community.intel.com/t5/Intel-Fortran-Compiler/false-positive-stand-f18-and-IEEE-SELECTED-REAL-KIND/m-p/1227336
+#set (DEBUG_FLAGS "${DEBUG_FLAGS} -warn")
+# enables warnings ...
+#set (DEBUG_FLAGS "${DEBUG_FLAGS} errors")
+#   ... warnings are changed to errors
+#set (DEBUG_FLAGS "${DEBUG_FLAGS},stderrors")
+#   ... warnings about Fortran standard violations are changed to errors
+
+set (DEBUG_FLAGS "${DEBUG_FLAGS} -debug-parameters all")
+# generate debug information for parameters
+
+# Additional options
+# -heap-arrays:            Should not be done for OpenMP, but set "ulimit -s unlimited" on shell. Probably it helps also to unlimit other limits
+# -check:                  Checks at runtime, where
+#    arg_temp_created:       will cause a lot of warnings because we create a bunch of temporary arrays (performance?)
+#    stack:
+
+#------------------------------------------------------------------------------------------------
+#  precision settings
+set (PRECISION_FLAGS "${PRECISION_FLAGS} -real-size 64")
+# set precision for standard real to 32 | 64 | 128 (= 4 | 8 | 16 bytes, type pReal is always 8 bytes)

From a7440da26a8e72927147107ac5f4a907a92294cc Mon Sep 17 00:00:00 2001
From: Martin Diehl <mail@martin-diehl.net>
Date: Sun, 26 Dec 2021 13:06:41 +0100
Subject: [PATCH 16/18] options not supported by LLVM-based Intel compilers

---
 cmake/Compiler-IntelLLVM.cmake | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/cmake/Compiler-IntelLLVM.cmake b/cmake/Compiler-IntelLLVM.cmake
index 5cd6a0e63..326cfe319 100644
--- a/cmake/Compiler-IntelLLVM.cmake
+++ b/cmake/Compiler-IntelLLVM.cmake
@@ -6,15 +6,15 @@ if (CMAKE_Fortran_COMPILER_VERSION VERSION_LESS 18.0)
 endif ()
 
 if (OPENMP)
-  set (OPENMP_FLAGS "-qopenmp -parallel")
+  set (OPENMP_FLAGS "-qopenmp")
 endif ()
 
 if (OPTIMIZATION STREQUAL "OFF")
-  set (OPTIMIZATION_FLAGS    "-O0 -no-ip")
+  set (OPTIMIZATION_FLAGS    "-O0")
 elseif (OPTIMIZATION STREQUAL "DEFENSIVE")
   set (OPTIMIZATION_FLAGS    "-O2")
 elseif (OPTIMIZATION STREQUAL "AGGRESSIVE")
-  set (OPTIMIZATION_FLAGS    "-ipo -O3 -no-prec-div -fp-model fast=2 -xHost")
+  set (OPTIMIZATION_FLAGS    "-ipo -O3 -fp-model fast=2 -xHost")
   # -fast = -ipo, -O3, -no-prec-div, -static, -fp-model fast=2, and -xHost"
 endif ()
 

From 4168b101f4f775c4392758c870d70adacc647d1d Mon Sep 17 00:00:00 2001
From: Martin Diehl <mail@martin-diehl.net>
Date: Sun, 26 Dec 2021 13:07:58 +0100
Subject: [PATCH 17/18] testing LLVM-based compilers

does not work for grid due to missing ML
---
 .gitlab-ci.yml | 44 +++++++++++++++++++++++++++-----------------
 1 file changed, 27 insertions(+), 17 deletions(-)

diff --git a/.gitlab-ci.yml b/.gitlab-ci.yml
index d60921b8c..6f18e3f1e 100644
--- a/.gitlab-ci.yml
+++ b/.gitlab-ci.yml
@@ -36,14 +36,17 @@ variables:
   # Names of module files to load
   # ===============================================================================================
   # ++++++++++++ Compiler +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+  COMPILER_GNU:       "Compiler/GNU/10"
+  COMPILER_INTELLLVM: "Compiler/oneAPI/2022.0.1 Libraries/IMKL/2022.0.1"
   COMPILER_INTEL: "Compiler/Intel/2022.0.1 Libraries/IMKL/2022.0.1"
-  COMPILER_GNU:   "Compiler/GNU/10"
   # ++++++++++++ MPI ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-  MPI_INTEL:      "MPI/Intel/2022.0.1/IntelMPI/2021.5.0"
   MPI_GNU:        "MPI/GNU/10/OpenMPI/4.1.1"
+  MPI_INTELLLVM:  "MPI/oneAPI/2022.0.1/IntelMPI/2021.5.0"
+  MPI_INTEL:      "MPI/Intel/2022.0.1/IntelMPI/2021.5.0"
   # ++++++++++++ PETSc ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+  PETSC_GNU:       "Libraries/PETSc/3.16.1/GNU-10-OpenMPI-4.1.1"
+  PETSC_INTELLLVM: "Libraries/PETSc/3.16.2/oneAPI-2022.0.1-IntelMPI-2021.5.0"
   PETSC_INTEL:    "Libraries/PETSc/3.16.2/Intel-2022.0.1-IntelMPI-2021.5.0"
-  PETSC_GNU:      "Libraries/PETSc/3.16.1/GNU-10-OpenMPI-4.1.1"
   # ++++++++++++ MSC Marc +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
   MSC:            "FEM/MSC/2021.3.1"
   IntelMarc:      "Compiler/Intel/19.1.2 Libraries/IMKL/2020"
@@ -76,20 +79,6 @@ mypy:
 
 
 ###################################################################################################
-test_grid_Intel:
-  stage: compile
-  script:
-    - module load ${COMPILER_INTEL} ${MPI_INTEL} ${PETSC_INTEL}
-    - cd PRIVATE/testing/pytest
-    - pytest -k 'compile and grid' --basetemp ${TESTROOT}/compile_grid_Intel
-
-test_mesh_Intel:
-  stage: compile
-  script:
-    - module load ${COMPILER_INTEL} ${MPI_INTEL} ${PETSC_INTEL}
-    - cd PRIVATE/testing/pytest
-    - pytest -k 'compile and mesh' --basetemp ${TESTROOT}/compile_mesh_Intel
-
 test_grid_GNU:
   stage: compile
   script:
@@ -104,6 +93,27 @@ test_mesh_GNU:
     - cd PRIVATE/testing/pytest
     - pytest -k 'compile and mesh' --basetemp ${TESTROOT}/compile_mesh_GNU
 
+test_mesh_IntelLLVM:
+  stage: compile
+  script:
+    - module load ${COMPILER_INTELLLVM} ${MPI_INTELLLVM} ${PETSC_INTELLLVM}
+    - cd PRIVATE/testing/pytest
+    - pytest -k 'compile and mesh' --basetemp ${TESTROOT}/compile_mesh_IntelLLVM
+
+test_grid_Intel:
+  stage: compile
+  script:
+    - module load ${COMPILER_INTEL} ${MPI_INTEL} ${PETSC_INTEL}
+    - cd PRIVATE/testing/pytest
+    - pytest -k 'compile and grid' --basetemp ${TESTROOT}/compile_grid_Intel
+
+test_mesh_Intel:
+  stage: compile
+  script:
+    - module load ${COMPILER_INTEL} ${MPI_INTEL} ${PETSC_INTEL}
+    - cd PRIVATE/testing/pytest
+    - pytest -k 'compile and mesh' --basetemp ${TESTROOT}/compile_mesh_Intel
+
 test_Marc:
   stage: compile
   script:

From 2d347e1be18c16aefc92043d7a2c37a240137a2b Mon Sep 17 00:00:00 2001
From: Test User <damask_user@mpie.de>
Date: Sun, 26 Dec 2021 21:05:58 +0100
Subject: [PATCH 18/18] [skip ci] updated version information after successful
 test of v3.0.0-alpha5-333-g01cd92755

---
 python/damask/VERSION | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/python/damask/VERSION b/python/damask/VERSION
index 4815547f4..e657e6a62 100644
--- a/python/damask/VERSION
+++ b/python/damask/VERSION
@@ -1 +1 @@
-v3.0.0-alpha5-316-gd8ef23fc9
+v3.0.0-alpha5-333-g01cd92755