Merge pull request #2 from nomad-coe/package

Package

.github/workflows/python-actions.yaml

@@ -1,9 +1,7 @@
-name: python
-
+name: install-and-test-workflow
 on: [push]
-
 jobs:
-  build:
+  install-and-test:
     runs-on: ubuntu-latest
     steps:
     - uses: actions/checkout@v3
@@ -14,15 +12,39 @@ jobs:
     - name: Install dependencies
       run: |
         pip install --upgrade pip
-        pip install .[dev]
+        # 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 coverage coveralls
     - name: mypy
       run: |
         python -m mypy --ignore-missing-imports --follow-imports=silent --no-strict-optional simulationparsers
     - name: Test with pytest
+      if: success() || failure()
       run: |
-        python -m pytest -sv tests
-
-
+        python -m coverage run -m pytest -sv tests
+    - name: Submit to coveralls
+      continue-on-error: true
+      env:
+        GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }}
+      run: |
+        coveralls --service=github
+  build-and-install:
+    runs-on: ubuntu-latest
+    steps:
+    - uses: actions/checkout@v3
+    - name: Set up Python 3.9
+      uses: actions/setup-python@v2
+      with:
+        python-version: 3.9
+    - name: Build the package
+      run: |
+        pip install --upgrade pip
+        pip install build
+        python -m build --sdist
+    - name: Install the package
+      run: |
+        pip install dist/*.tar.gz --index-url https://gitlab.mpcdf.mpg.de/api/v4/projects/2187/packages/pypi/simple
   ruff:
     runs-on: ubuntu-latest
     steps:

pyproject.toml

@@ -10,7 +10,7 @@ readme = "README.md"
 authors = [{ name = "The NOMAD Authors" }]
 license = { file = "LICENSE" }
 dependencies = [
-    "nomad-lab[infrastructure]@git+https://github.com/nomad-coe/nomad.git@develop",
+    "nomad-lab>=1.2.0",
     "nomad-schema-plugin-run@git+https://github.com/nomad-coe/nomad-schema-plugin-run.git@develop",
 ]