Merge branch 'main' into fix-symmetrydetectionerror

Author: t-reents

.readthedocs.yml

@@ -6,11 +6,20 @@ version: 2
 # Only compile HTML
 formats: []
 
+build:
+   os: 'ubuntu-24.04'
+   tools:
+      python: '3.13'
+
 python:
-   version: 3.8
    install:
       - requirements: docs/requirements_for_rtd.txt
       - method: pip
         path: .
-        #extra_requirements:
-        #    - docs
+        extra_requirements:
+           - 'bz'
+
+sphinx:
+   configuration: 'docs/source/conf.py'
+   builder: 'html'
+   fail_on_warning: false

docs/source/conf.py

@@ -33,7 +33,7 @@
 templates_path = ['_templates']
 
 # The suffix of source filenames.
-source_suffix = '.rst'
+source_suffix = {'.rst': 'restructuredtext'}
 
 # The encoding of source files.
 # source_encoding = 'utf-8-sig'
@@ -67,7 +67,7 @@
 #
 # This is also used if you do content translation via gettext catalogs.
 # Usually you set "language" from the command line for these cases.
-language = None
+language = 'en'
 
 # There are two options for replacing |today|: either, you set today to some
 # non-false value, then it is used:

docs/source/module_guide/index.rst

@@ -20,3 +20,9 @@ The HPKOT module
 
 .. automodule:: seekpath.hpkot.tools
    :members:
+
+
+Warnings
+--------
+
+.. autoclass:: seekpath.SupercellWarning

tests/test_brillouinzone.py

@@ -110,7 +110,7 @@ def test_cubic(self):
         b1 = [1, 0, 0]
         b2 = [0, 1, 0]
         b3 = [0, 0, 1]
-        bz = brillouinzone.get_BZ(b1=b1, b2=b2, b3=b3)
+        bz = brillouinzone.BZ(b1=b1, b2=b2, b3=b3)
 
         expected_faces = [
             [
@@ -162,7 +162,7 @@ def test_cubic(self):
 
         # The definition of triangles is not unique. I check directly the
         # faces (that should be obtained from the triangles
-        faces = bz['faces']
+        faces = bz.faces
 
         # theFaces = [Face(f) for f in faces]
         # theExpectedFaces = [Face(f) for f in expected_faces]
@@ -177,7 +177,7 @@ def test_2(self):
         b1 = [1, 0, 0]
         b2 = [0, 1, 0]
         b3 = [0.2, 0.2, 1]
-        bz = brillouinzone.get_BZ(b1=b1, b2=b2, b3=b3)
+        bz = brillouinzone.BZ(b1=b1, b2=b2, b3=b3)
 
         expected_faces = [
             [
@@ -264,7 +264,7 @@ def test_2(self):
 
         # The definition of triangles is not unique. I check directly the
         # faces (that should be obtained from the triangles
-        faces = bz['faces']
+        faces = bz.faces
 
         # To print the actual output
         # print "["