Fix nomad dependency (#39)

nomad-coe · Mar 13, 2024 · c7c6781 · c7c6781
1 parent 235e3d4
commit c7c6781
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diff --git a/.github/workflows/python-actions.yaml b/.github/workflows/python-actions.yaml
@@ -1,10 +1,7 @@
-name: test
-
+name: install-and-test-workflow
 on: [push]
-
 jobs:
-  install-test:
-
+  install-and-test:
     runs-on: ubuntu-latest
     steps:
     - uses: actions/checkout@v3
@@ -15,15 +12,40 @@ jobs:
     - name: Install dependencies
       run: |
         pip install --upgrade pip
-        pip install .[tests]
+        # we need the latest nomad version for testing
+        pip install nomad-lab[infrastructure]@git+https://github.com/nomad-coe/nomad.git@develop
+        pip install '.[tests]' --index-url https://gitlab.mpcdf.mpg.de/api/v4/projects/2187/packages/pypi/simple
+        pip install coverage coveralls
         pip install types-PyYAML
     - name: mypy
       run: |
         python -m mypy --ignore-missing-imports --follow-imports=silent --no-strict-optional *parsers tests
     - 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-linting:
     runs-on: ubuntu-latest
     steps:

diff --git a/pyproject.toml b/pyproject.toml
@@ -3,40 +3,40 @@ requires = ["setuptools"]
 build-backend = "setuptools.build_meta"
 
 [project]
-name = 'workflowparsers'
-version = '1.0'
-description = 'Collection of NOMAD parsers for workflow engines.'
+name = "workflowparsers"
+version = "1.0"
+description = "Collection of NOMAD parsers for workflow engines."
 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-simulation-workflow@git+https://github.com/nomad-coe/nomad-schema-plugin-simulation-workflow.git@develop",
     "nomad-schema-plugin-run@git+https://github.com/nomad-coe/nomad-schema-plugin-run.git@develop",
-    'lxml',
-    'asr',
-    'xarray>=0.19.0',
-    'phonopy',
-    'h5py>=3.4.0',
+    "lxml",
+    "asr",
+    "xarray>=0.19.0",
+    "phonopy",
+    "h5py>=3.4.0",
 ]
 
 [project.urls]
 homepage = "https://github.com/nomad-coe/electronic-parsers"
 
 [project.optional-dependencies]
 tests = [
-    'mypy==1.0.1',
-    'pytest==3.10.0',
-    'pytest-timeout==1.4.2',
-    'pytest-cov==2.7.1',
-    'astroid==2.11.7',
-    'lxml==4.7.1',
-    'asr==0.4.1',
-    'xarray==0.20.2',
-    'phonopy==2.11.0',
-    'h5py==3.6.0',
-    'typing-extensions==4.4.0',
-    'ruff==0.1.8',
+    "mypy==1.0.1",
+    "pytest==3.10.0",
+    "pytest-timeout==1.4.2",
+    "pytest-cov==2.7.1",
+    "astroid==2.11.7",
+    "lxml==4.7.1",
+    "asr==0.4.1",
+    "xarray==0.20.2",
+    "phonopy==2.11.0",
+    "h5py==3.6.0",
+    "typing-extensions==4.4.0",
+    "ruff==0.1.8",
 ]
 
 [tool.ruff]
@@ -84,7 +84,7 @@ line-ending = "auto"
 include = ["workflowparsers*"]
 
 [tool.setuptools.package-data]
-workflowparsers = ['*/metadata.yaml', '*/README.md']
+workflowparsers = ["*/metadata.yaml", "*/README.md"]
 
 [tool.mypy]
 strict = false