Merge #430 from hakonanes/prepare-0.11-release

Bring develop into main for 0.11.0 release

.github/workflows/build.yml

@@ -1,48 +1,64 @@
 name: build
 
-on: [push, pull_request]
+on:
+  push:
+    branches:
+      - '*'
+  pull_request:
+    branches:
+      - '*'
+  workflow_dispatch:
+    workflow: '*'
+
+env:
+  MPLBACKEND: agg
 
 jobs:
   code:
     name: code style
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v2
+      - uses: actions/checkout@v3
+
       - uses: psf/black@stable
-      - uses: actions/setup-python@v2
+
+      - uses: actions/setup-python@v4
         with:
           python-version: 3.9
+
       - uses: isort/isort-action@master
         with:
           configuration: --profile black --filter-files --force-sort-within-sections --check-only --diff
 
       - name: Install Black with Jupyter extension
-        run: pip install black[jupyter]
+        run: |
+          pip install black[jupyter]
 
       - name: Check code style of Jupyter notebooks
-        run: black doc/**/*.ipynb --check
+        run: |
+          black --diff --line-length 77 doc/tutorials/*.ipynb
 
   # Make sure all necessary files will be included in a release
   manifest:
     name: check manifest
     runs-on: ubuntu-latest
     steps:
-      - uses: actions/checkout@v2
+      - uses: actions/checkout@v3
 
-      - uses: actions/setup-python@v2
+      - uses: actions/setup-python@v4
 
       - name: Install dependencies
-        run: pip install manifix
+        run: |
+          pip install manifix
 
       - name: Check MANIFEST.in file
-        run: python setup.py manifix
+        run: |
+          python setup.py manifix
 
   build-with-pip:
     name: ${{ matrix.os }}-py${{ matrix.python-version }}${{ matrix.LABEL }}
     runs-on: ${{ matrix.os }}
     timeout-minutes: 15
-    env:
-      MPLBACKEND: agg
     strategy:
       fail-fast: false
       matrix:
@@ -55,26 +71,28 @@ jobs:
             DEPENDENCIES: diffpy.structure==3  matplotlib==3.3
             LABEL: -oldest
     steps:
-      - uses: actions/checkout@v2
+      - uses: actions/checkout@v3
 
       - name: Set up Python ${{ matrix.python-version }}
-        uses: actions/setup-python@v2
+        uses: actions/setup-python@v4
         with:
           python-version: ${{ matrix.python-version }}
 
-      - name: Display Python and pip versions
-        run: python -V; pip -V
-
       - name: Install depedencies and package
         shell: bash
-        run: pip install -U -e .'[doc, tests]'
+        run: |
+          pip install -U -e .'[doc, tests]'
 
       - name: Install oldest supported version
         if: ${{ matrix.OLDEST_SUPPORTED_VERSION }}
-        run: pip install ${{ matrix.DEPENDENCIES }}
+        run: |
+          pip install ${{ matrix.DEPENDENCIES }}
 
-      - name: Display package versions
-        run: pip list
+      - name: Display Python, pip and package versions
+        run: |
+          python -V
+          pip -V
+          pip list
 
       - name: Run docstring tests
         if: ${{ matrix.os == 'ubuntu-latest' }}
@@ -83,11 +101,13 @@ jobs:
           pytest --doctest-modules --ignore-glob=orix/tests orix/*.py
 
       - name: Run tests
-        run: pytest --cov=orix --pyargs orix
+        run: |
+          pytest -n 2 --cov=orix --pyargs orix
 
       - name: Generate line coverage
         if: ${{ matrix.os == 'ubuntu-latest' }}
-        run: coverage report --show-missing
+        run: |
+          coverage report --show-missing
 
       - name: Upload coverage to Coveralls
         if: ${{ matrix.os == 'ubuntu-latest' }}

.github/workflows/perhaps_make_tagged_release_draft.py

@@ -1,4 +1,4 @@
-# Copyright 2019-2022 The orix developers
+# Copyright 2018-2023 The orix developers
 #
 # This file is part of orix.
 #

.gitignore

@@ -63,7 +63,7 @@ instance/
 .scrapy
 
 # Sphinx documentation
-doc/_build/
+doc/build/
 doc/examples/
 doc/reference/generated/
 doc/source/_autosummary/

.pre-commit-config.yaml

@@ -1,17 +1,15 @@
 repos:
   - repo: https://github.com/psf/black
-    rev: 22.3.0
+    rev: 23.1.0
     hooks:
+      - id: black
       - id: black-jupyter
+        files: \.ipynb
+        args: [--line-length=77]
   - repo: https://github.com/pycqa/isort
-    rev: 5.10.1
+    rev: 5.12.0
     hooks:
       - id: isort
         name: isort (python)
         args:
-          [
-            "--profile",
-            "black",
-            "--filter-files",
-            "--force-sort-within-sections",
-          ]
+          [--profile=black, --filter-files, --force-sort-within-sections]

.zenodo.json

@@ -30,6 +30,10 @@
       "orcid": "0000-0002-2204-2055",
       "affiliation": "The Ohio State University"
     },
+    {
+      "name": "Anders Christian Mathisen",
+      "affiliation": "Norwegian University of Science and Technology"
+    },
     {
       "name": "Simon Høgås"
     },

CHANGELOG.rst

@@ -2,17 +2,70 @@
 Changelog
 =========
 
-All notable changes to the ``orix`` project are documented in this file.
+All user facing changes to this project are documented in this file. The format is based
+on `Keep a Changelog <https://keepachangelog.com/en/1.0.0/>`__, and this project tries
+its best to adhere to `Semantic Versioning <https://semver.org/spec/v2.0.0.html>`__.
 
-The format is based on `Keep a Changelog <https://keepachangelog.com/en/1.0.0/>`_, and
-this project adheres to `Semantic Versioning <https://semver.org/spec/v2.0.0.html>`_.
+2023-02-09 - version 0.11.0
+===========================
+
+Added
+-----
+- Creation of one or more ``Quaternion`` (or instances of inheriting classes) from one
+  or more SciPy ``Rotation``.
+- Creation of one ``Quaternion`` or ``Rotation`` by aligning sets of vectors in two
+  reference frames, one ``Orientation`` by aligning sets of sample vectors and crystal
+  vectors, and one ``Misorientation`` by aligning two sets of crystal vectors in two
+  different crystals.
+- ``row`` and ``col`` properties to ``CrystalMap`` giving the row and column coordinate
+  of each map point given by ``CrystalMap.shape``.
+- ``Rotation`` class methods ``from_neo_euler()``, ``from_axes_angles()``,
+  ``from_euler()``, ``from_matrix()``, ``random()`` and ``identity()`` and methods
+  ``to_euler()`` and ``to_matrix()`` are now available from the ``Quaternion`` class as
+  well.
+- ``StereographicPlot.restrict_to_sector()`` allows two new parameters to control the
+  amount of padding (in degrees in stereographic projection) and whether to show the
+  sector edges. Keyword arguments can also be passed on to Matplotlib's ``PathPatch()``.
+- Option to pass degrees to the ``Quaternion`` methods ``from_axes_angles()``,
+  ``from_euler()`` and ``to_euler()`` by passing ``degrees=True``.
+- Option to get degrees from all ``angle_with()`` and ``angle_with_outer()`` methods
+  by passing ``degrees=True``.
+- Option to pass degrees to the ``(Mis)Orientation`` method ``get_distance_matrix()``
+  by passing ``degrees=True``.
+- Option to pass degrees to the ``Vector3d`` methods ``from_polar()`` and ``to_polar()``
+  by passing ``degrees=True``.
+- Option to get spherical coordinates from
+  ``InverseStereographicProjection.xy2spherical()`` in degrees or pass them as degrees
+  to ``StereographicProjection`` methods ``spherical2xy()`` and ``spherical2xy_split()``
+  by passing ``degrees=True``.
+
+
+Changed
+-------
+- Bumped minimal version of ``diffpy.structure >= 3.0.2``.
+- Only ASTAR .ang files return crystal maps with ``"nm"`` as scan unit.
+
+Removed
+-------
+- Parameter ``z`` when creating a ``CrystalMap`` and the ``z`` and ``dz`` attributes of
+  the class were deprecated in 0.10.1 and are now removed.
+- Passing ``shape`` or ``step_sizes`` with three values to
+  ``create_coordinate_arrays()`` was depreacted in 0.10. and will now raise an error.
+- Parameter ``depth`` (and ``axes``) in ``CrystalMapPlot.plot_map()`` was depreacted in
+  0.10.1 and will now raise an error if passed.
+- The ``z`` and ``dz`` datasets are not present in new orix HDF5 files. They are not
+  read if present in older files.
+
+Fixed
+-----
+- Reading of EDAX TSL .ang files with ten columns should now work.
 
 2022-10-25 - version 0.10.2
 ===========================
 
 Fixed
 -----
-- ``Miller.symmetrise(unique=True)`` return the correct number of symmetrically
+- ``Miller.symmetrise(unique=True)`` returns the correct number of symmetrically
   equivalent but unique vectors, by rounding to 10 instead of 12 decimals prior to
   finding the unique vectors with NumPy.