Merge branch 'python-test-matrix' into 'development'

test min Python version on merge request

See merge request damask/DAMASK!1029

Author: dmentock

.gitlab-ci.yml

@@ -54,42 +54,78 @@ create_testroot:
   script:
     - mkdir -p ${TESTROOT}
 
+.on_merge:
+  rules:
+    - if: $CI_PIPELINE_SOURCE == 'merge_request_event'
+
 ###################################################################################################
 
-.python:
+.python_base:
   stage: python
+  image: git.damask-multiphysics.org:5050/damask/damask/python:$PYTHON_IMAGE
   tags:
     - matesting2-container-runner
-  image: git.damask-multiphysics.org:5050/damask/damask:python310_2412
   before_script:
+    - python --version
     - pip list
 
-create_package:
-  extends: .python
+.python_default:
+  extends: .python_base
+  variables: {PYTHON_IMAGE: 2025.01.05}
+
+.python_min:
+  extends: .python_base
+  variables: {PYTHON_IMAGE: '310_2412'}
+
+
+.create_package:
   script:
     - sed -i 's/-[[:digit:]]*-.*//' VERSION
     - cd python
     - python3 -m build --wheel --no-isolation
 
-pytest:
-  extends: .python
+create_package:
+  extends:
+    - .create_package
+    - .python_default
+
+create_package_min:
+  extends:
+    - .create_package
+    - .python_min
+    - .on_merge
+
+
+.pytest:
   script:
     - export DAMASK_ROOT=$(pwd)
     - PYTHONPATH=${DAMASK_ROOT}/python:$PYTHONPATH
     - cd python
     - python3 -m pytest -v --cov=damask --cov-report=xml --damaskroot=${DAMASK_ROOT}
     - coverage report --fail-under=90 --show-missing
 
+pytest:
+  extends:
+    - .pytest
+    - .python_default
+
+pytest_min:
+  extends:
+    - .pytest
+    - .python_min
+    - .on_merge
+
+
 doctest:
-  extends: .python
+  extends: .python_default
   script:
     - export DAMASK_ROOT=$(pwd)
     - PYTHONPATH=${DAMASK_ROOT}/python:$PYTHONPATH
     - cd python
     - python3 -m pytest -v --doctest-modules -k 'not result and not configmaterial and not orientation and not rotation and not geomgrid' damask
 
 mypy:
-  extends: .python
+  extends: .python_default
   script:
     - cd python
     - mypy damask

python/damask/_orientation.py

@@ -1,6 +1,6 @@
 import copy
 import warnings
-from typing import Optional, Union, TypeVar, Literal, Sequence, NamedTuple # mypy 1.11, overload
+from typing import Optional, Union, TypeVar, Literal, Sequence, NamedTuple, overload
 
 import numpy as np
 import numpy.typing as npt
@@ -1311,7 +1311,7 @@ def disorientation_angle(self: MyType,
         else:
             return self.disorientation(other).as_axis_angle(pair=True)[1]                           # type: ignore
 
-        return 2.*np.arccos(np.clip(np.round(trace_max[...,0],15),None,1.))
+        return 2.*np.arccos(np.clip(trace_max[...,0].round(15),None,1.))
 
 
     def average(self: MyType,                                                                       # type: ignore[override]
@@ -1355,18 +1355,20 @@ def average(self: MyType,
         else:
             return self.copy(Rotation(r).average(weights))
 
-    # mypy 1.11
-    #@overload
-    #def to_SST(self, vector: FloatSequence, proper: bool = False,                                   # noqa
-    #           return_operator: Literal[False] = False) -> np.ndarray: ...
-    #@overload
-    #def to_SST(self, vector: FloatSequence, proper: bool = False,                                   # noqa
-    #           return_operator: Literal[True] = True) -> Tuple[np.ndarray,np.ndarray]: ...
+    @overload
+    def to_SST(self, vector: FloatSequence, proper: bool = False,
+               return_operator: Literal[False] = False,
+               return_operators: bool = False) -> np.ndarray:
+        ...
+    @overload
+    def to_SST(self, vector: FloatSequence, proper: bool = False,
+               return_operator: Literal[True] = True,
+               return_operators: bool = False) -> ToSSTTuple:
+        ...
     def to_SST(self,
                vector: FloatSequence,
                proper: bool = False,
                return_operator: bool = False,
-    #           return_operators: bool = False) -> Union[np.ndarray,Tuple[np.ndarray,np.ndarray]]:
                return_operators: bool = False) -> Union[np.ndarray, ToSSTTuple]:
         """
         Rotate lab frame vector to ensure it falls into (improper or proper) standard stereographic triangle of crystal symmetry.
@@ -1531,7 +1533,7 @@ def IPF_color(self,
                                              np.broadcast_to(self.standard_triangle['improper'], vector_.shape+(3,)),
                                              np.block([vector_[...,:2],np.abs(vector_[...,2:3])])), 12)
 
-            in_SST_ = np.all(components >= 0.0,axis=-1)
+            in_SST_ = np.all(components >= 0.0,axis=-1)                                             #type: ignore
 
         with np.errstate(invalid='ignore',divide='ignore'):
             rgb = (components/np.linalg.norm(components,axis=-1,keepdims=True))**(1./3.)            # smoothen color ramps

python/tests/conftest.py

@@ -244,8 +244,9 @@ def report_nonclose(a, b, rtol, atol, N, msg):
         Description of differences.
 
     """
-    a_ = np.array(a)
-    b_ = np.array(b)
+    a_ = np.asarray(a)
+    b_ = np.asarray(b)
+    if a_.shape != b_.shape: b_ = np.broadcast_to(b_,a.shape)
 
     absdiff = np.abs(a_ - b_)
     absmax  = np.max(np.abs(np.stack((a_, b_))), axis=0)

python/tests/test_Orientation.py

@@ -294,10 +294,10 @@ def test_disorientation_invalid(self,np_rng):
             o_1.disorientation_angle(o_2)
 
     @pytest.mark.parametrize('family',crystal_families)
-    def test_disorientation_zero(self,set_of_quaternions,family):
+    def test_disorientation_zero(self,assert_allclose,set_of_quaternions,family):
         o = Orientation.from_quaternion(q=set_of_quaternions,family=family)
-        assert np.allclose(o.disorientation_angle(o),0.0,atol=1e-15,rtol=0.)
-        assert np.allclose(o.disorientation(o).as_axis_angle(pair=True)[1],0.,atol=1e-15,rtol=0.)
+        assert_allclose(o.disorientation_angle(o),0.0,atol=1e-7,rtol=0.)
+        assert_allclose(o.disorientation(o).as_axis_angle(pair=True)[1],0.,atol=1e-15,rtol=0.)
 
     @pytest.mark.parametrize('color',[{'label':'red',  'RGB':[1,0,0],'direction':[0,0,1]},
                                       {'label':'green','RGB':[0,1,0],'direction':[0,1,1]},