.codecov.yml

@@ -1,34 +1,14 @@
-# codecov can find this file anywhere in the repo, so we don't need to clutter
-# the root folder.
-#comment: false
-
-codecov:
-  notify:
-    require_ci_to_pass: no
-
 coverage:
   status:
-    patch:
+    project:  # more options at https://docs.codecov.com/docs/commit-status
       default:
-        target: '70'
-        if_no_uploads: error
-        if_not_found: success
-        if_ci_failed: failure
-    project:
-      default: false
-      library:
-        target: auto
-        if_no_uploads: error
-        if_not_found: success
-        if_ci_failed: error
-        paths: '!*/tests/.*'
-
-      tests:
-        target: 97.9%
-        paths: '*/tests/.*'
-        if_not_found: success
-
-flags:
-  tests:
-    paths:
-      - tests/
+        target: auto # use the coverage from the base commit, fail if coverage is lower
+        threshold: 0%  # allow the coverage to drop by
+
+comment:
+  layout: " diff, flags, files"
+  behavior: default
+  require_changes: false
+  require_base: false  # [true :: must have a base report to post]
+  require_head: false  # [true :: must have a head report to post]
+  hide_project_coverage: false # [true :: only show coverage on the git diff aka patch coverage]

.codespell/ignore_lines.txt

@@ -0,0 +1,2 @@
+;; Please include filenames and explanations for each ignored line.
+;; See https://docs.openverse.org/meta/codespell.html for docs.

.codespell/ignore_words.txt

@@ -0,0 +1,14 @@
+;; Please include explanations for each ignored word (lowercase).
+;; See https://docs.openverse.org/meta/codespell.html for docs.
+
+;; abbreviation for "materials" often used in a journal title
+mater
+
+;; alternative use of socioeconomic
+socio-economic
+
+;; Frobenius norm used in np.linalg.norm
+fro
+
+;; library used for Python package release, no longer used
+rever

.flake8

@@ -5,7 +5,7 @@ exclude =
     build,
     dist,
     doc/source/conf.py
-max-line-length = 115
+max-line-length = 79
 # Ignore some style 'errors' produced while formatting by 'black'
 # https://black.readthedocs.io/en/stable/guides/using_black_with_other_tools.html#labels-why-pycodestyle-warnings
 extend-ignore = E203

.github/ISSUE_TEMPLATE/release_checklist.md

@@ -6,17 +6,30 @@ labels: "release"
 assignees: ""
 ---
 
-### Release checklist for GitHub contributors
+### PyPI/GitHub release checklist:
 
 - [ ] All PRs/issues attached to the release are merged.
 - [ ] All the badges on the README are passing.
 - [ ] License information is verified as correct. If you are unsure, please comment below.
 - [ ] Locally rendered documentation contains all appropriate pages, including API references (check no modules are
   missing), tutorials, and other human written text is up-to-date with any changes in the code.
-- [ ] Installation instructions in the README, documentation and on the website (e.g., diffpy.org) are updated and
-  tested
-- [ ] Successfully run any tutorial examples or do functional testing in some other way.
-- [ ] Grammar and writing quality have been checked (no typos).
+- [ ] Installation instructions in the README, documentation and on the website (e.g., diffpy.org) are updated.
+- [ ] Successfully run any tutorial examples or do functional testing with the latest Python version.
+- [ ] Grammar and writing quality are checked (no typos).
 
-Please mention @sbillinge when you are ready for release. Include any additional comments necessary, such as
-version information and details about the pre-release.
+Please mention @sbillinge here when you are ready for PyPI/GitHub release. Include any additional comments necessary, such as
+version information and details about the pre-release here:
+
+### conda-forge release checklist:
+
+<!-- After @sbillinge releases the PyPI package, please check the following when creating a PR for conda-forge release.-->
+
+- [ ] New package dependencies listed in `conda.txt` and `test.txt` are added to `meta.yaml` in the feedstock.
+- [ ] All relevant issues in the feedstock are addressed in the release PR.
+
+### Post-release checklist
+
+<!-- Before closing this issue, please complete the following: -->
+
+- [ ]  Run tutorial examples and conduct functional testing using the installation guide in the README. Attach screenshots/results as comments.
+- [ ]  Documentation (README, tutorials, API references, and websites) is deployed without broken links or missing figures.

.github/workflows/build-wheel-release-upload.yml

@@ -1,4 +1,4 @@
-name: Release (GitHub/PyPI)
+name: Release (GitHub/PyPI) and Deploy Docs
 
 on:
   workflow_dispatch:
@@ -10,7 +10,9 @@ jobs:
   release:
     uses: Billingegroup/release-scripts/.github/workflows/_build-wheel-release-upload.yml@v0
     with:
-      project: diffpy.pdfmorph
+      project: diffpy.morph
+      github_admin_username: sbillinge
+
     secrets:
       PYPI_TOKEN: ${{ secrets.PYPI_TOKEN }}
       PAT_TOKEN: ${{ secrets.PAT_TOKEN }}

.github/workflows/check-news-item.yml

@@ -6,7 +6,7 @@ on:
     - main
 
 jobs:
-  build:
+  check-news-item:
     uses: Billingegroup/release-scripts/.github/workflows/_check-news-item.yml@v0
     with:
-      project: diffpy.pdfmorph
+      project: diffpy.morph

.github/workflows/matrix-and-codecov-on-merge-to-main.yml

@@ -11,10 +11,10 @@ on:
   workflow_dispatch:
 
 jobs:
-  coverage:
+  matrix-coverage:
     uses: Billingegroup/release-scripts/.github/workflows/_matrix-and-codecov-on-merge-to-main.yml@v0
     with:
-      project: diffpy.pdfmorph
+      project: diffpy.morph
       c_extension: false
       headless: false
     secrets:

.github/workflows/tests-on-pr.yml

@@ -8,9 +8,11 @@ on:
   workflow_dispatch:
 
 jobs:
-  validate:
+  tests-on-pr:
     uses: Billingegroup/release-scripts/.github/workflows/_tests-on-pr.yml@v0
     with:
-      project: diffpy.pdfmorph
+      project: diffpy.morph
       c_extension: false
       headless: false
+    secrets:
+      CODECOV_TOKEN: ${{ secrets.CODECOV_TOKEN }}

.isort.cfg

@@ -1,4 +1,4 @@
 [settings]
-line_length = 115
+line_length = 79
 multi_line_output = 3
 include_trailing_comma = True

.pre-commit-config.yaml

@@ -44,3 +44,9 @@ repos:
         name: Prevent Commit to Main Branch
         args: ["--branch", "main"]
         stages: [pre-commit]
+  - repo: https://github.com/codespell-project/codespell
+    rev: v2.3.0
+    hooks:
+    - id: codespell
+      additional_dependencies:
+        - tomli

AUTHORS.rst

@@ -1,10 +1,10 @@
 Authors
-=======
+========
 
 Billinge Group and community contributors.
 
 Contributors
 ------------
 
 For a list of contributors, visit
-https://github.com/diffpy/diffpy.pdfmorph/graphs/contributors
+https://github.com/diffpy/diffpy.morph/graphs/contributors

CHANGELOG.rst

@@ -4,6 +4,23 @@ Release Notes
 
 .. current developments
 
+0.1.3
+=====
+
+**Added:**
+
+* Add GitHub action to build wheel, release, upload.
+* Add issue and bug report templates.
+
+**Changed:**
+
+* README file installation instructions updated.
+
+**Fixed:**
+
+* Mathematical error in manual
+
+
 0.1.2
 =====