Merge remote-tracking branch 'origin/development' into modernize-testing

VERSION

@@ -1 +1 @@
-v3.0.0-alpha-594-g46e5023f8
+v3.0.0-alpha-615-gfce116aa8

env/DAMASK.csh

@@ -51,4 +51,4 @@ else
   setenv PYTHONPATH $DAMASK_ROOT/python:$PYTHONPATH
 endif
 setenv MSC_ROOT
-setenv MARC_VERSION
+setenv MSC_VERSION

installation/mods_MarcMentat/apply_DAMASK_modifications.py

@@ -7,15 +7,15 @@ from pathlib import Path
 
 import damask
 
-marc_version = float(damask.environment.options['MSC_VERSION'])
+msc_version = float(damask.environment.options['MSC_VERSION'])
-if int(marc_version) == marc_version:
+if int(msc_version) == msc_version:
-    marc_version = int(marc_version)
+    msc_version = int(msc_version)
 msc_root     = Path(damask.environment.options['MSC_ROOT'])
 damask_root  = damask.environment.root_dir
 
 parser = argparse.ArgumentParser(
      description='Apply DAMASK modification to MSC.Marc/Mentat',
-     epilog = f'MSC_ROOT={msc_root} and MSC_VERSION={marc_version} (from {damask_root}/env/CONFIG)')
+     epilog = f'MSC_ROOT={msc_root} and MSC_VERSION={msc_version} (from {damask_root}/env/CONFIG)')
 parser.add_argument('--editor', dest='editor', metavar='string', default='vi',
                     help='Name of the editor for MSC.Mentat (executable)')
 
@@ -24,7 +24,7 @@ def copy_and_replace(in_file,dst):
     with open(in_file) as f:
         content = f.read()
     content = content.replace('%INSTALLDIR%',str(msc_root))
-    content = content.replace('%VERSION%',str(marc_version))
+    content = content.replace('%VERSION%',str(msc_version))
     content = content.replace('%EDITOR%', parser.parse_args().editor)
     with open(dst/Path(in_file).name,'w') as f:
         f.write(content)
@@ -32,36 +32,36 @@ def copy_and_replace(in_file,dst):
 
 print('adapting Marc tools...\n')
 
-src = damask_root/f'installation/mods_MarcMentat/{marc_version}/Marc_tools'
+src = damask_root/f'installation/mods_MarcMentat/{msc_version}/Marc_tools'
-dst = msc_root/f'marc{marc_version}/tools'
+dst = msc_root/f'marc{msc_version}/tools'
 for in_file in glob.glob(str(src/'*damask*')) + [str(src/'include_linux64')]:
     copy_and_replace(in_file,dst)
 
 
 print('adapting Mentat scripts and menus...\n')
 
-src = damask_root/f'installation/mods_MarcMentat/{marc_version}/Mentat_bin'
+src = damask_root/f'installation/mods_MarcMentat/{msc_version}/Mentat_bin'
-dst = msc_root/f'mentat{marc_version}/bin'
+dst = msc_root/f'mentat{msc_version}/bin'
 for in_file in glob.glob(str(src/'*[!.original]')):
     copy_and_replace(in_file,dst)
 
-src = damask_root/f'installation/mods_MarcMentat/{marc_version}/Mentat_menus'
+src = damask_root/f'installation/mods_MarcMentat/{msc_version}/Mentat_menus'
-dst = msc_root/f'mentat{marc_version}/menus'
+dst = msc_root/f'mentat{msc_version}/menus'
 for in_file in glob.glob(str(src/'job_run.ms')):
     copy_and_replace(in_file,dst)
 
 
 print('compiling Mentat menu binaries...')
 
-executable = str(msc_root/f'mentat{marc_version}/bin/mentat')
+executable = str(msc_root/f'mentat{msc_version}/bin/mentat')
-menu_file  = str(msc_root/f'mentat{marc_version}/menus/linux64/main.msb')
+menu_file  = str(msc_root/f'mentat{msc_version}/menus/linux64/main.msb')
 os.system(f'xvfb-run {executable} -compile {menu_file}')
 
 
 print('setting file access rights...\n')
 
-for pattern in [msc_root/f'marc{marc_version}/tools/*damask*',
+for pattern in [msc_root/f'marc{msc_version}/tools/*damask*',
-                msc_root/f'mentat{marc_version}/bin/submit?',
+                msc_root/f'mentat{msc_version}/bin/submit?',
-                msc_root/f'mentat{marc_version}/bin/kill?']:
+                msc_root/f'mentat{msc_version}/bin/kill?']:
     for f in glob.glob(str(pattern)):
         os.chmod(f,0o755)

python/damask/_configmaterial.py

@@ -69,8 +69,8 @@ class ConfigMaterial(Config):
         _,idx = np.unique(np.hstack(list({**constituents_,**kwargs_}.values())),return_index=True,axis=0)
 
         idx = np.sort(idx)
-        constituents_ = {k:v[idx].squeeze() for k,v in constituents_.items()}
+        constituents_ = {k:np.atleast_1d(v[idx].squeeze()) for k,v in constituents_.items()}
-        kwargs_       = {k:v[idx].squeeze() for k,v in kwargs_.items()}
+        kwargs_       = {k:np.atleast_1d(v[idx].squeeze()) for k,v in kwargs_.items()}
 
         return ConfigMaterial().material_add(constituents_,**kwargs_)
 
@@ -268,6 +268,7 @@ class ConfigMaterial(Config):
     @staticmethod
     def _constituents(N=1,**kwargs):
         """Construct list of constituents."""
+        N_material=1
         for v in kwargs.values():
             if hasattr(v,'__len__') and not isinstance(v,str): N_material = len(v)
 

python/damask/_geom.py

@@ -266,13 +266,9 @@ class Geom:
 
         labels_ = [labels] if isinstance(labels,str) else labels
         unique,unique_inverse = np.unique(np.hstack([table.get(l) for l in labels_]),return_inverse=True,axis=0)
-        if len(unique) == grid.prod():
+
-            ma = np.arange(grid.prod())
+        ma = np.arange(grid.prod()) if len(unique) == grid.prod() else \
-        else:
+             np.arange(unique.size)[np.argsort(pd.unique(unique_inverse))][unique_inverse]
-            from_ma = pd.unique(unique_inverse)
-            sort_idx = np.argsort(from_ma)
-            idx = np.searchsorted(from_ma,unique_inverse,sorter = sort_idx)
-            ma = np.arange(from_ma.size)[sort_idx][idx]
 
         return Geom(ma.reshape(grid,order='F'),size,origin,util.execution_stamp('Geom','from_table'))
 

python/tests/test_ConfigMaterial.py

@@ -87,3 +87,7 @@ class TestConfigMaterial:
             c = m['constituents'][0]
             assert m['c'] == 1 and c['b'] == 0 and c['a'] == [i,1]
 
+    def test__constituents(self):
+        c = ConfigMaterial._constituents(c=1,v=[2,3])
+        assert c[0][0]['c'] == c[1][0]['c']    == 1
+        assert c[0][0]['v'] == c[1][0]['v'] -1 ==2