Merge pull request #6 from nomad-coe/release

Use pypi pkgs

.github/workflows/mkdocs-deploy.yml

@@ -0,0 +1,28 @@
+name: deploy-mkdocs
+
+on:
+  push:
+    branches:
+      - develop # Triggers deployment on push to the main branch
+
+jobs:
+  deploy:
+    runs-on: ubuntu-latest
+
+    steps:
+      - name: Checkout Repository
+        uses: actions/checkout@v4
+
+      - name: Set up Python
+        uses: actions/setup-python@v4
+        with:
+          python-version: "3.x"
+
+      - name: Install Dependencies
+        run: |
+          python -m pip install --upgrade pip
+          pip install mkdocs mkdocs-material==8.1.1 pymdown-extensions mkdocs-click
+
+      - name: Build and Deploy
+        run: |
+          mkdocs gh-deploy --config-file ../simulation-parsers/mkdocs.yml --force --remote-branch gh-pages

.github/workflows/publish.yml

@@ -14,10 +14,10 @@ jobs:
     runs-on: ubuntu-latest
     environment:
       name: pypi
-      url: https://pypi.org/p/simulationparsers
+      url: https://pypi.org/p/nomad-parser-plugins-simulation
     permissions:
       id-token: write # IMPORTANT: mandatory for trusted publishing
-
+  
     steps:
       - uses: actions/checkout@v4
       - name: Set up Python

.github/workflows/python-actions.yaml

@@ -13,14 +13,13 @@ jobs:
       run: |
         pip install --upgrade pip
         # we need the latest nomad version for testing
-        pip install nomad-lab[infrastructure]@git+https://github.com/nomad-coe/nomad.git@develop
-        pip install '.[dev]' --index-url https://gitlab.mpcdf.mpg.de/api/v4/projects/2187/packages/pypi/simple
+        # pip install nomad-lab[infrastructure]@git+https://github.com/nomad-coe/nomad.git@develop
+        pip install '.[dev,tests]' --index-url https://gitlab.mpcdf.mpg.de/api/v4/projects/2187/packages/pypi/simple
         pip install coverage coveralls
     - name: mypy
       run: |
-        python -m mypy --ignore-missing-imports --follow-imports=silent --no-strict-optional simulationparsers
+        python -m mypy --ignore-missing-imports --follow-imports=silent --no-strict-optional simulationparsers tests
     - name: Test with pytest
-      if: success() || failure()
       run: |
         python -m coverage run -m pytest -sv tests
     - name: Submit to coveralls
@@ -50,3 +49,5 @@ jobs:
     steps:
       - uses: actions/checkout@v3
       - uses: chartboost/ruff-action@v1
+        with:
+          args: "check"

pyproject.toml

@@ -4,7 +4,7 @@ build-backend = "setuptools.build_meta"
 
 [project]
 name = 'simulationparsers'
-version = '1.1'
+version = '1.0'
 description = 'Collection of NOMAD parsers for simulation codes.'
 readme = "README.md"
 authors = [{ name = "The NOMAD Authors" }]