Merge branch 'housekeeping_2025-05-04' into 'development'

housekeeping 2025-05-04

See merge request damask/DAMASK!1066

Author: eisenlohr

CMakeLists.txt

@@ -63,6 +63,9 @@ endif()
 add_definitions(-DCMAKE_SYSTEM_NAME="${CMAKE_SYSTEM_NAME}")
 add_definitions(-DCMAKE_SYSTEM_PROCESSOR="${CMAKE_SYSTEM_PROCESSOR}")
 
+add_definitions(-DSTRLEN=256)
+add_definitions(-DPATHLEN=4096)
+
 if(PETSC_VERSION VERSION_EQUAL 3.17.0)
   add_definitions("-DCHKERRQ=PetscCall")
 endif()
@@ -134,21 +137,18 @@ if(CMAKE_BUILD_TYPE STREQUAL "SYNTAXONLY")
 endif()
 
 
-if   (CMAKE_Fortran_COMPILER_ID STREQUAL "GNU")
-  set(Fortran_COMPILER_VERSION_MIN 11.1)
-elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "IntelLLVM")
-  set(Fortran_COMPILER_VERSION_MIN 19)
-elseif(CMAKE_Fortran_COMPILER_ID STREQUAL "LLVMFlang")
-  set(Fortran_COMPILER_VERSION_MIN 20)
+if((CMAKE_Fortran_COMPILER_ID STREQUAL "GNU") OR
+   (CMAKE_Fortran_COMPILER_ID STREQUAL "IntelLLVM") OR
+   (CMAKE_Fortran_COMPILER_ID STREQUAL "LLVMFlang"))
+  include("${PROJECT_SOURCE_DIR}/cmake/Compiler-${CMAKE_Fortran_COMPILER_ID}.cmake")
 else()
   message(FATAL_ERROR "Compiler '${CMAKE_Fortran_COMPILER_ID}' not supported")
 endif()
+
 if(CMAKE_Fortran_COMPILER_VERSION VERSION_LESS Fortran_COMPILER_VERSION_MIN)
   message(FATAL_ERROR "Version '${CMAKE_Fortran_COMPILER_VERSION}' of '${CMAKE_Fortran_COMPILER_ID}' is not supported")
 endif()
 
-list(APPEND CMAKE_MODULE_PATH ${PROJECT_SOURCE_DIR}/cmake)
-include("Compiler-${CMAKE_Fortran_COMPILER_ID}")
 
 file(STRINGS "$ENV{PETSC_DIR}/$ENV{PETSC_ARCH}/lib/petsc/conf/petscvariables" PETSC_EXTERNAL_LIB REGEX "PETSC_EXTERNAL_LIB_BASIC = .*$?")
 string(REPLACE "PETSC_EXTERNAL_LIB_BASIC = " "" PETSC_EXTERNAL_LIB "${PETSC_EXTERNAL_LIB}")

cmake/Compiler-GNU.cmake

@@ -1,6 +1,8 @@
 ###################################################################################################
 # GNU Compiler
 ###################################################################################################
+set(Fortran_COMPILER_VERSION_MIN 11.1)
+
 if (OPENMP)
   set (OPENMP_FLAGS "-fopenmp")
 endif ()

cmake/Compiler-IntelLLVM.cmake

@@ -1,6 +1,8 @@
 ###################################################################################################
 # IntelLLVM Compiler
 ###################################################################################################
+set(Fortran_COMPILER_VERSION_MIN 19)
+
 if (OPENMP)
   set (OPENMP_FLAGS "-fiopenmp")
 endif ()

cmake/Compiler-LLVMFlang.cmake

@@ -1,12 +1,10 @@
 ###################################################################################################
 # LLVM Compiler
 ###################################################################################################
+set(Fortran_COMPILER_VERSION_MIN 20)
+
 if (OPENMP)
   set (OPENMP_FLAGS "-fopenmp")
 endif ()
 
 set (STANDARD_CHECK "-std=f2018 -pedantic" )
-
-#------------------------------------------------------------------------------------------------
-# Fine tuning compilation options
-set (COMPILE_FLAGS "${COMPILE_FLAGS} -cpp") # preprocessor, needed for CMake < 3.18

python/damask/_colormap.py

@@ -78,7 +78,7 @@ def __eq__(self,
         Returns
         -------
         eq : bool
-            Wheter self equals other.
+            Whether self equals other.
         """
         if not isinstance(other, Colormap):
             return NotImplemented
@@ -504,27 +504,71 @@ def _interpolate_msh(frac: float,
 
         This interpolation gives a perceptually uniform colormap.
 
+        Parameters
+        ----------
+        frac : float
+            Location at the colormap in a range [0,1].
+        low : numpy.ndarray, shape (3)
+            Color in Msh for the low end of the colormap.
+        high : numpy.ndarray, shape (3)
+            Color in Msh for the high end of the colormap.
+
+        Returns
+        -------
+        color : numpy.ndarray, shape (3)
+            Color in Msh at frac between low and high.
+
         References
         ----------
         | https://www.kennethmoreland.com/color-maps/ColorMapsExpanded.pdf
         | https://www.kennethmoreland.com/color-maps/diverging_map.py
         """
-        def rad_diff(a,b):
-            return abs(a[2]-b[2])
-
-        def adjust_hue(msh_sat, msh_unsat):
-            """If saturation of one of the two colors is much less than the other, hue of the less."""
-            if msh_sat[0] >= msh_unsat[0]:
+        def rad_diff(h_1,h_2):
+            """
+            Compute angular difference between two hue orientations.
+
+            Parameters
+            ----------
+            h_1 : float
+                First hue orientation.
+            h_2 : float
+                Second hue orientation.
+
+            Returns
+            -------
+            d : float
+                Angular difference between given hue orientations.
+            """
+            d = abs(h_1-h_2)%(2*np.pi)
+            return min(d,2*np.pi-d)
+
+        def adjust_hue(msh_sat, m_unsat):
+            """
+            Provide adjusted hue when interpolating to an unsaturated color.
+
+            Parameters
+            ----------
+            msh_sat : numpy.ndarray, shape(3)
+                Saturated color in Msh space.
+            m_unsat : float
+                Magnitue (in Msh space) of unsaturated color.
+
+            Returns
+            -------
+            h_adjusted : float
+                Adjusted hue.
+            """
+            if msh_sat[0] >= m_unsat:
                 return msh_sat[2]
 
-            hSpin = msh_sat[1]/np.sin(msh_sat[1])*np.sqrt(msh_unsat[0]**2.0-msh_sat[0]**2)/msh_sat[0]
+            hSpin = msh_sat[1]/np.sin(msh_sat[1])*np.sqrt(m_unsat**2.0-msh_sat[0]**2)/msh_sat[0]
             if msh_sat[2] < - np.pi/3.0: hSpin *= -1.0
             return msh_sat[2] + hSpin
 
         lo = np.array(low)
         hi = np.array(high)
 
-        if (lo[1] > 0.05 and hi[1] > 0.05 and rad_diff(lo,hi) > np.pi/3.0):
+        if (lo[1] > 0.05 and hi[1] > 0.05 and rad_diff(lo[2],hi[2]) > np.pi/3.0):
             M_mid = max(lo[0],hi[0],88.0)
             if frac < 0.5:
                 hi = np.array([M_mid,0.0,0.0])
@@ -533,9 +577,9 @@ def adjust_hue(msh_sat, msh_unsat):
                 lo = np.array([M_mid,0.0,0.0])
                 frac = 2.0*frac - 1.0
         if   lo[1] < 0.05 < hi[1]:
-            lo[2] = adjust_hue(hi,lo)
+            lo[2] = adjust_hue(hi,lo[0])
         elif hi[1] < 0.05 < lo[1]:
-            hi[2] = adjust_hue(lo,hi)
+            hi[2] = adjust_hue(lo,hi[0])
 
         return (1.0 - frac) * lo + frac * hi
 

python/damask/_configmaterial.py

@@ -258,22 +258,20 @@ def is_complete(self) -> bool:
         Returns
         -------
         complete : bool
-            Whether the material.yaml definition is complete.
+            Whether the material configuration definition is complete.
         """
-        def LabeledList(label,items):
+        def labeled_list(label,items):
             return f'{label.capitalize()}{"s" if len(items)>1 else ""} {util.srepr(items,",",quote=True)}'
 
         ok = True
         msg = []
         all = set(['homogenization','phase','material'])
-        miss = set([item for item in all if item not in self])
-        empty = set([item for item in all-miss if self[item] is None])
 
-        if miss:
-            msg.append(f'{LabeledList("top-level",miss)} missing')
+        if miss := set([item for item in all if item not in self]):
+            msg.append(f'{labeled_list("top-level",miss)} missing')
             ok = False
-        if empty:
-            msg.append(f'{LabeledList("top-level",empty)} empty')
+        if empty := set([item for item in all-miss if self[item] is None]):
+            msg.append(f'{labeled_list("top-level",empty)} empty')
 
         if ok:
             ok &= len(self['material']) > 0
@@ -303,10 +301,10 @@ def LabeledList(label,items):
                             'homogenization':homogenization}.items():
                 me = set([] if v in empty else self[v])
                 if _miss := other - me:
-                    msg.append(f'{LabeledList(v,_miss)} missing')
+                    msg.append(f'{labeled_list(v,_miss)} missing')
                     ok = False
                 if len(_empty := [item for item in me if self[v][item] is None]) > 0:
-                    msg.append(f'{LabeledList(v,_empty)} undefined')
+                    msg.append(f'{labeled_list(v,_empty)} undefined')
                     ok = False
 
         logger.info(util.srepr(msg))