Maintenance updates

.github/PULL_REQUEST_TEMPLATE.md

@@ -1,32 +1,21 @@
----
-name: Pull request 
-about: A pull request that fixes a bug or adds a feature
+#### Description of the change
 
----
 
-**Release Notes**
-> new feature / improvement / bugfix / developer change
-Summary: 1 line per end-user relevant change
+#### Progress of the PR
 
-**What does this PR do? Please describe and/or link to an open issue.**
-A clear and concise description of what the code in this PR does. Does it fix a bug or add a new feature?
-If it is related to an open issue, reference it here.
+- [ ] [Docstrings for all functions](https://github.com/numpy/numpy/blob/master/doc/example.py)
+- [ ] Unit tests with pytest for all lines
+- [ ] Clean code style by [running black](https://diffsims.readthedocs.io/en/latest/contributing.html#get-the-style-right)
 
-**Describe alternatives you've considered**
-A clear and concise description of any alternative solutions or features you've considered.
-
-**Are there any known issues? Do you need help?**
-If the code isn't quite working as you want it to, tell us here so we can help you polish the code.
-
-**Work in progress?**
-If you know there is more to do, make a checklist here:
-- [ ] TODO 1
-- [ ] TODO 2
+#### Minimal example of the bug fix or new feature
+```python
+>>> from diffsims.utils import sim_utils
+>>> # Your new feature...
+```
 
 #### For reviewers
 <!-- Don't remove the checklist below. -->
-- [ ] Check that the PR title is short, concise, and will make sense 1 year
-  later.
-- [ ] Check that new functions are imported in corresponding `__init__.py`.
-- [ ] Check that new features, API changes, and deprecations are mentioned in
-      the unreleased section in `CHANGELOG.md`.
+- [ ] The PR title is short, concise, and will make sense 1 year later.
+- [ ] New functions are imported in corresponding `__init__.py`.
+- [ ] New features, API changes, and deprecations are mentioned in the
+      unreleased section in `CHANGELOG.rst`.

.github/workflows/build.yml

@@ -3,10 +3,22 @@ name: build
 on: [push, pull_request]
 
 jobs:
+  # 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
+
   build-with-pip:
     name: ${{ matrix.os }}/py${{ matrix.python-version }}/pip
     runs-on: ${{ matrix.os }}
-    timeout-minutes: 45
+    timeout-minutes: 15
     env:
       MPLBACKEND: agg
     strategy:

CHANGELOG.md → CHANGELOG.rst

@@ -1,45 +1,61 @@
-# Changelog
+=========
+Changelog
+=========
+
 All notable changes to this project will be documented in this file.
 
-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).
+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>`_.
 
-## Unreleased
+Unreleased
+==========
 
-### Added
-- extra parameters in diffraction pattern's plot method for drawing miller index labels next to the diffraction spots
+Added
+-----
+- Extra parameters in diffraction pattern's plot method for drawing miller index labels
+  next to the diffraction spots
 - Option to use None for `scattering_params` which ignores atomic scattering
 
-### Changed
+Changed
+-------
 - Minimal version of dependencies numpy >= 1.17 and tqdm >= 4.9
 
-## 2021-04-16 - version 0.4.2
+2021-04-16 - version 0.4.2
+==========================
 
-### Added
+Added
+-----
 - Simulations now have a .get_as_mask() method (#154, #158)
 - Python 3.9 testing (#161)
 
-### Fixed
+Changed
+-------
+- Simulations now use a fractional (rather than absolute) min_intensity (#161)
+
+Fixed
+-----
 - Precession simulations (#161)
 
-### Changed
-- Simulations now use a fractional (rather than absolute) min_intensity (#161)
+2021-03-15 - version 0.4.1
+==========================
 
-## 2021-03-15 - version 0.4.1
-### Changed
-- `get_grid_beam_directions` default meshing changed to "spherified_cube_edge" from "spherified_cube_corner"
+Changed
+-------
+- `get_grid_beam_directions` default meshing changed to "spherified_cube_edge" from
+  "spherified_cube_corner"
 
-### Fixed
-- `get_grid_beam_directions` now behaves correctly for the triclinic and monoclinic cases
+Fixed
+-----
+- `get_grid_beam_directions` now behaves correctly for the triclinic and monoclinic
+  cases
 
-## 2021-01-11 - version 0.4.0
-### Changed
-- `get_grid_beam_directions`, now works based off of meshes
-- the arguments in the `DiffractionGenerator` constructor and the `DiffractionLibraryGenerator.get_diffraction_library` function have been shuffled so that the former captures arguments related to "the instrument/physics" while the latter captures arguments relevant to "the sample/material".
-- CI is now provided by github actions
+2021-01-11 - version 0.4.0
+==========================
 
-### Added
-- API reference documentation via Read The Docs: https://diffsims.rtfd.io
+Added
+-----
+- API reference documentation via Read The Docs: https://diffsims.readthedocs.io
 - New module: `sphere_mesh_generators`
 - New module: `detector_functions`
 - New module: `ring_pattern_utils`
@@ -48,8 +64,19 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 - more shape factor functions have been added
 - This project now keeps a Changelog
 
-### Removed
+Changed
+-------
+- `get_grid_beam_directions`, now works based off of meshes
+- the arguments in the `DiffractionGenerator` constructor and the
+  `DiffractionLibraryGenerator.get_diffraction_library` function have been shuffled so
+  that the former captures arguments related to "the instrument/physics" while the
+  latter captures arguments relevant to "the sample/material".
+- CI is now provided by github actions
+
+Removed
+-------
 - Python 3.6 testing
 
-### Fixed
+Fixed
+-----
 - ReciprocalLatticePoint handles having only one point/vector