Merge pull request #385 from hakonanes/prepare-release-v0.10

Merge develop into main for release v0.10.0

.github/workflows/build.yml

@@ -9,16 +9,31 @@ jobs:
     steps:
       - uses: actions/checkout@v2
       - uses: psf/black@stable
+      - uses: actions/setup-python@v2
+        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]
+
+      - name: Check code style of Jupyter notebooks
+        run: black doc/**/*.ipynb --check
 
   # 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/setup-python@v2
+
       - name: Install dependencies
         run: pip install manifix
+
       - name: Check MANIFEST.in file
         run: python setup.py manifix
 
@@ -32,34 +47,48 @@ jobs:
       fail-fast: false
       matrix:
         os: [ubuntu-latest, windows-latest, macos-latest]
-        python-version: [3.9, '3.10']
+        python-version: [3.9, "3.10"]
         include:
           - os: ubuntu-latest
-            python-version: 3.6
+            python-version: 3.7
             OLDEST_SUPPORTED_VERSION: true
             DEPENDENCIES: diffpy.structure==3  matplotlib==3.3
             LABEL: -oldest
     steps:
       - uses: actions/checkout@v2
+
       - name: Set up Python ${{ matrix.python-version }}
         uses: actions/setup-python@v2
         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]'
+
       - name: Install oldest supported version
         if: ${{ matrix.OLDEST_SUPPORTED_VERSION }}
         run: pip install ${{ matrix.DEPENDENCIES }}
+
       - name: Display package versions
         run: pip list
+
+      - name: Run docstring tests
+        if: ${{ matrix.os == 'ubuntu-latest' }}
+        continue-on-error: true
+        run: |
+          pytest --doctest-modules --ignore-glob=orix/tests orix/*.py
+
       - name: Run tests
         run: pytest --cov=orix --pyargs orix
+
       - name: Generate line coverage
         if: ${{ matrix.os == 'ubuntu-latest' }}
         run: coverage report --show-missing
+
       - name: Upload coverage to Coveralls
         if: ${{ matrix.os == 'ubuntu-latest' }}
         uses: AndreMiras/coveralls-python-action@develop
@@ -70,7 +99,7 @@ jobs:
     needs: build-with-pip
     runs-on: ubuntu-latest
     steps:
-    - name: Coveralls finished
-      uses: AndreMiras/coveralls-python-action@develop
-      with:
-        parallel-finished: true
+      - name: Coveralls finished
+        uses: AndreMiras/coveralls-python-action@develop
+        with:
+          parallel-finished: true

.github/workflows/perhaps_make_a_tagged_release_draft.yml

@@ -0,0 +1,55 @@
+name: Perhaps make a tagged release
+
+# Trigger workflow when commits to the main branch contain a change in the
+# orix/__init__.py file. This is because this workflow should only run when a
+# tagged release draft is to be made.
+
+on:
+  push:
+    branches:
+      - main
+    paths:
+      - "orix/__init__.py"
+
+jobs:
+  make-tagged-release:
+    runs-on: ubuntu-latest
+    steps:
+    - uses: actions/checkout@v2
+
+    - uses: r-lib/actions/setup-pandoc@v1
+
+    - name: Set up Python ${{ runner.python-version }}
+      uses: actions/setup-python@v2
+      with:
+        python-version: '3.x'
+
+    - name: Install dependencies
+      run: |
+        python -m pip install --upgrade pip
+        pip install outdated
+
+    - name: Check whether a tagged release draft should be made
+      run: |
+        cd .github/workflows
+        eval x=($(python perhaps_make_tagged_release_draft.py))
+        echo "MAKE_RELEASE=${x[0]}" >> $GITHUB_ENV
+        echo "PYPI_VERSION=${x[1]}" >> $GITHUB_ENV
+        echo "BRANCH_VERSION=${x[2]}" >> $GITHUB_ENV
+
+    - name: Make tagged release draft body from changelog
+      if: ${{ env.MAKE_RELEASE == 'true' }}
+      run: pandoc .github/workflows/release_part_in_changelog.rst -f rst -t markdown -o release_part_in_changelog.md --wrap=none
+
+    - name: Make tagged release draft
+      if: ${{ env.MAKE_RELEASE == 'true' }}
+      uses: actions/create-release@v1
+      env:
+        GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+      with:
+        draft: true
+        tag_name: v${{ env.BRANCH_VERSION }}
+        release_name: orix ${{ env.BRANCH_VERSION }}
+        commitish: main
+        body_path: release_part_in_changelog.md
+        prerelease: false

.github/workflows/perhaps_make_tagged_release_draft.py

@@ -0,0 +1,85 @@
+# Copyright 2019-2022 The orix developers
+#
+# This file is part of orix.
+#
+# kikuchipy is free software: you can redistribute it and/or modify
+# it under the terms of the GNU General Public License as published by
+# the Free Software Foundation, either version 3 of the License, or
+# (at your option) any later version.
+#
+# kikuchipy is distributed in the hope that it will be useful,
+# but WITHOUT ANY WARRANTY; without even the implied warranty of
+# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
+# GNU General Public License for more details.
+#
+# You should have received a copy of the GNU General Public License
+# along with orix. If not, see <http://www.gnu.org/licenses/>.
+
+import re
+
+from outdated import check_outdated
+from packaging.version import Version
+
+with open("../../orix/__init__.py") as fid:
+    for line in fid:
+        if line.startswith("__version__"):
+            branch_version_str = line.strip().split(" = ")[-1][1:-1]
+            break
+
+# Within a try/except because we don't want to throw the error if a new
+# tagged release draft is to be made, we just want to know if the branch
+# version is different (hopefully always newer if different) from the
+# PyPI version
+try:
+    make_release, pypi_version_str = check_outdated("orix", branch_version_str)
+except ValueError as err:
+    pattern = re.compile(r"([\d.]+)")  # Any "word" with decimal digits and dots
+    matches = []
+    for line in err.args[0].split(" "):
+        if pattern.match(line) is not None:
+            matches.append(line)
+    pypi_version_str = matches[-1]
+    make_release = True
+
+# Don't make a release if the version is a development version
+branch_version = Version(branch_version_str)
+pypi_version = Version(pypi_version_str)
+if branch_version.is_devrelease:
+    make_release = False
+
+if make_release:
+    # Determine which type of release this is (major, minor, patch?)
+    if branch_version.major > pypi_version.major:
+        release_type = "major"
+    elif branch_version.minor > pypi_version.minor:
+        release_type = "minor"
+    else:
+        release_type = "patch"
+
+    # Write the relevant part of the changelog to a new file to be used
+    # by the publish workflow
+    with open("../../CHANGELOG.rst", mode="r") as f:
+        content = f.readlines()
+        changelog_start = 0
+        changelog_end = 0
+        for i, line in enumerate(content):
+            if branch_version.base_version in line:
+                changelog_start = i + 3
+            elif pypi_version.base_version in line:
+                changelog_end = i - 1
+                break
+        if changelog_start == 0:
+            changelog_end = 0
+    with open("release_part_in_changelog.rst", mode="w") as f:
+        f.write(
+            f"orix {branch_version_str} is a {release_type} release of orix, an open-source Python library for handling orientations, rotations and crystal symmetry.\n\n"
+            f"See below, the `changelog <https://orix.readthedocs.io/en/stable/changelog.html>`_ or the `GitHub changelog <https://github.com/pyxem/orix/compare/v{pypi_version_str}...v{branch_version_str}>`_ for all updates from the previous release.\n\n"
+        )
+        for line in content[changelog_start:changelog_end]:
+            f.write(line)
+
+# These three prints are collected by a bash script using `eval` and
+# passed to the publish workflow environment variables
+print(make_release)
+print(pypi_version_str)
+print(branch_version_str)

.github/workflows/python-publish.yml

@@ -22,23 +22,28 @@ jobs:
     runs-on: ubuntu-latest
     steps:
     - uses: actions/checkout@v2
+
     - name: Set up Python
       uses: actions/setup-python@v2
       with:
         python-version: '3.x'
+
     - name: Install dependencies
       run: |
         python -m pip install --upgrade pip
         pip install build
+
     - name: Build package
       run: |
         python -m build
+
     - name: Publish package to TestPyPI
       uses: pypa/gh-action-pypi-publish@27b31702a0e7fc50959f5ad993c78deac1bdfc29
       with:
         user: __token__
         password: ${{ secrets.TEST_PYPI_API_TOKEN }}
         repository_url: https://test.pypi.org/legacy/
+
     - name: Publish package to PyPI
       uses: pypa/gh-action-pypi-publish@27b31702a0e7fc50959f5ad993c78deac1bdfc29
       with:

.github/workflows/test_documentation_notebooks.yml

@@ -19,17 +19,21 @@ jobs:
       MPLBACKEND: agg
     steps:
       - uses: actions/checkout@v2
+
       - name: Set up Python 3.10
         uses: actions/setup-python@v2
         with:
           python-version: '3.10'
+
       - name: Display versions
         run: python -V; pip -V
+
       - name: Install dependencies and package
         shell: bash
         run: |
           pip install -U -e .'[tests, doc]'
           pip install nbval
+
       - name: Test documentation notebooks
         run: |
           pytest -v --nbval doc

.gitignore

@@ -64,7 +64,8 @@ instance/
 
 # Sphinx documentation
 doc/_build/
-doc/build/
+doc/examples/
+doc/reference/generated/
 doc/source/_autosummary/
 
 # PyBuilder

.pre-commit-config.yaml

@@ -1,5 +1,17 @@
 repos:
   - repo: https://github.com/psf/black
-    rev: 22.1.0
+    rev: 22.3.0
     hooks:
-      - id: black
+      - id: black-jupyter
+  - repo: https://github.com/pycqa/isort
+    rev: 5.10.1
+    hooks:
+      - id: isort
+        name: isort (python)
+        args:
+          [
+            "--profile",
+            "black",
+            "--filter-files",
+            "--force-sort-within-sections",
+          ]

.zenodo.json

@@ -8,15 +8,15 @@
     {
       "name": "Ben Martineau"
     },
-    {
-      "name": "Phillip Crout",
-      "orcid": "0000-0001-5754-0938"
-    },
     {
       "name": "Paddy Harrison",
       "orcid": "0000-0001-9798-8710",
       "affiliation": "SIMaP, Grenoble INP"
     },
+    {
+      "name": "Phillip Crout",
+      "orcid": "0000-0001-5754-0938"
+    },
     {
       "name": "Duncan Johnstone",
       "orcid": "0000-0003-3663-3793"
@@ -25,6 +25,11 @@
       "name": "Niels Cautaerts",
       "orcid": "0000-0002-6402-9879"
     },
+    {
+      "name": "Austin Gerlt",
+      "orcid": "0000-0002-2204-2055",
+      "affiliation": "The Ohio State University"
+    },
     {
       "name": "Simon Høgås"
     }