add standard autodeployment (#57) (#63)

* add standard autodeployment (#57)
* use OpenID Connect (OIDC) for deploy.yml
  - trusted PyPi published configured
  - removed TOKEN-based authentication
    (note: repo had never any secrets defined)
* trusted publisher workflow
  - update deploy.yaml with @IAlibay's updates in GridDataFormats
  - added 'deploy' environment in MDAnalysisData settings
  - updated Trusted Publisher for PyPi project
  - added pending Trusted Publisher (https://docs.pypi.org/trusted-publishers/) for Test PyPi
    project

Author: orbeckst

.github/workflows/deploy.yaml

@@ -0,0 +1,55 @@
+name: Build and upload to PyPi
+
+on:
+  push:
+    tags:
+      - "*"
+  release:
+    types:
+      - published
+
+jobs:
+  testpypi_push:
+    environment:
+      name: deploy
+      url: https://test.pypi.org/p/MDAnalysisData
+    permissions:
+      id-token: write
+    if: |
+      github.repository == 'MDAnalysis/MDAnalysisData' &&
+      (github.event_name == 'push' && startsWith(github.ref, 'refs/tags/')
+    name: Build, upload and test pure Python wheels to TestPypi
+    runs-on: ubuntu-latest
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: testpypi_deploy
+        uses: MDAnalysis/pypi-deployment@main
+        if: github.event_name == 'push' && startsWith(github.ref, 'refs/tags/')
+        with:
+          test_submission: true
+          package_name: MDAnalysisData
+          module_name: 'MDAnalysisData'
+
+  pypi_push:
+    environment:
+      name: deploy
+      url: https://pypi.org/p/MDAnalysisData
+    permissions:
+      id-token: write
+    if: |
+      github.repository == 'MDAnalysis/MDAnalysisData' &&
+      (github.event_name == 'release' && github.event.action == 'published')
+    name: Build, upload and test pure Python wheels to PyPi
+    runs-on: ubuntu-latest
+
+    steps:
+      - uses: actions/checkout@v4
+
+      - name: pypi_deploy
+        uses: MDAnalysis/pypi-deployment@main
+        if: github.event_name == 'release' && github.event.action == 'published'
+        with:
+          package_name: MDAnalysisData
+          module_name: 'MDAnalysisData'

CHANGELOG.md

@@ -9,6 +9,9 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0
 ### Changes
 - Update package to only support NEP29 range (Python 3.9 - 3.12 as of writing)
 
+### Changes (internal)
+- automated deployment (#57)
+
 ## [0.8.1] - 2021-10-04
 
 ### Added