Devops: Add tests for the minimal install

A new job `tests-minimal-install` is added to the CI and CD workflows.
The job installs the package with minimal extra dependencies (just the
`tests` extras are installed so that `pytest` is available`. The job
then invokes `pytest` with the `-m minimal_install` option. The
`minimal_install` marker is added to run only those tests that should
run with a minimal install.

For now, the minimal install tests simply check that all modules are
importable, except for the workflow plugin implementations, and that all
CLI commands can be called with the `--help` option.

Author: sphuber

.github/workflows/cd.yml

@@ -83,10 +83,36 @@ jobs:
     - name: Run pytest
       run: pytest -sv tests
 
+  tests-minimal-install:
+
+    runs-on: ubuntu-latest
+    timeout-minutes: 30
+
+    strategy:
+      matrix:
+        python-version: ['3.9']
+
+    steps:
+    - uses: actions/checkout@v2
+
+    - name: Install Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v4
+      with:
+        python-version: ${{ matrix.python-version }}
+        cache: pip
+        cache-dependency-path: pyproject.toml
+
+    - name: Install Python package without any extras
+      run: pip install -e .[tests]
+
+    - name: Run pytest
+      run: pytest -sv tests -m minimal_install
+
+
   publish:
 
     name: Publish to PyPI
-    needs: [pre-commit, tests]
+    needs: [pre-commit, tests, tests-minimal-install]
     runs-on: ubuntu-latest
 
     steps:

.github/workflows/ci.yml

@@ -62,3 +62,28 @@ jobs:
       env:
         AIIDA_WARN_v3: true
       run: pytest -sv tests
+
+  tests-minimal-install:
+
+    runs-on: ubuntu-latest
+    timeout-minutes: 30
+
+    strategy:
+      matrix:
+        python-version: ['3.9']
+
+    steps:
+    - uses: actions/checkout@v2
+
+    - name: Install Python ${{ matrix.python-version }}
+      uses: actions/setup-python@v4
+      with:
+        python-version: ${{ matrix.python-version }}
+        cache: pip
+        cache-dependency-path: pyproject.toml
+
+    - name: Install Python package without any extras
+      run: pip install -e .[tests]
+
+    - name: Run pytest
+      run: pytest -sv tests -m minimal_install

pyproject.toml

@@ -164,6 +164,9 @@ filterwarnings = [
   'ignore:Creating AiiDA configuration folder.*:UserWarning',
   'ignore:Object of type .* not in session, .* operation along .* will not proceed:sqlalchemy.exc.SAWarning'
 ]
+markers = [
+  'minimal_install: mark test as relevant for minimal install.'
+]
 testpaths = [
   'tests'
 ]

tests/cli/test_root.py

@@ -32,6 +32,7 @@ def recurse_commands(command: click.Command, parents: list[str] | None = None):
 
 @pytest.mark.parametrize('command', recurse_commands(cmd_root))
 @pytest.mark.parametrize('help_option', ('--help', '-h'))
+@pytest.mark.minimal_install
 def test_commands_help_option(command, help_option):
     """Test the help options for all subcommands of the CLI.
 

tests/test_minimal_install.py

@@ -0,0 +1,20 @@
+"""Tests for a minimal install of the package without any extra dependencies.
+
+The unit tests in this module should be run against a minimal install of the package without any extra dependencies
+installed. This guarantees that most of the code can be imported without any plugin packages being installed.
+"""
+import pytest
+
+
+@pytest.mark.minimal_install
+def test_imports():
+    """The following modules should be importable without any plugin packages installed."""
+    import aiida_common_workflows.cli
+    import aiida_common_workflows.common
+    import aiida_common_workflows.generators
+    import aiida_common_workflows.plugins
+    import aiida_common_workflows.protocol
+    import aiida_common_workflows.utils
+    import aiida_common_workflows.workflows
+    import aiida_common_workflows.workflows.dissociation
+    import aiida_common_workflows.workflows.eos  # noqa: F401

tests/workflows/relax/test_abinit.py

@@ -1,10 +1,11 @@
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.abinit` module."""
-
 import pytest
 from aiida import engine, plugins
 
-WORKCHAIN = plugins.WorkflowFactory('common_workflows.relax.abinit')
-GENERATOR = WORKCHAIN.get_input_generator()
+
+@pytest.fixture
+def generator():
+    return plugins.WorkflowFactory('common_workflows.relax.abinit').get_input_generator()
 
 
 @pytest.fixture
@@ -22,52 +23,52 @@ def default_builder_inputs(generate_code, generate_structure):
 
 
 @pytest.mark.usefixtures('pseudo_dojo_jthxml_family')
-def test_get_builder(default_builder_inputs):
+def test_get_builder(generator, default_builder_inputs):
     """Test the ``get_builder`` with default arguments."""
-    builder = GENERATOR.get_builder(**default_builder_inputs)
+    builder = generator.get_builder(**default_builder_inputs)
     assert isinstance(builder, engine.ProcessBuilder)
 
 
 @pytest.mark.usefixtures('pseudo_dojo_jthxml_family')
 @pytest.mark.skip('Running this test will fail with an `UnroutableError` in `kiwipy`.')
-def test_submit(default_builder_inputs):
+def test_submit(generator, default_builder_inputs):
     """Test submitting the builder returned by ``get_builder`` called with default arguments.
 
     This will actually create the ``WorkChain`` instance, so if it doesn't raise, that means the input spec was valid.
     """
-    builder = GENERATOR.get_builder(**default_builder_inputs)
+    builder = generator.get_builder(**default_builder_inputs)
     engine.submit(builder)
 
 
 @pytest.mark.usefixtures('pseudo_dojo_jthxml_family')
-def test_supported_electronic_types(default_builder_inputs):
+def test_supported_electronic_types(generator, default_builder_inputs):
     """Test calling ``get_builder`` for the supported ``electronic_types``."""
     inputs = default_builder_inputs
 
-    for electronic_type in GENERATOR.spec().inputs['electronic_type'].choices:
+    for electronic_type in generator.spec().inputs['electronic_type'].choices:
         inputs['electronic_type'] = electronic_type
-        builder = GENERATOR.get_builder(**inputs)
+        builder = generator.get_builder(**inputs)
         assert isinstance(builder, engine.ProcessBuilder)
 
 
 @pytest.mark.usefixtures('pseudo_dojo_jthxml_family')
-def test_supported_relax_types(default_builder_inputs):
+def test_supported_relax_types(generator, default_builder_inputs):
     """Test calling ``get_builder`` for the supported ``relax_types``."""
     inputs = default_builder_inputs
 
-    for relax_type in GENERATOR.spec().inputs['relax_type'].choices:
+    for relax_type in generator.spec().inputs['relax_type'].choices:
         inputs['relax_type'] = relax_type
-        builder = GENERATOR.get_builder(**inputs)
+        builder = generator.get_builder(**inputs)
         assert isinstance(builder, engine.ProcessBuilder)
 
 
 @pytest.mark.usefixtures('pseudo_dojo_jthxml_family')
 @pytest.mark.filterwarnings('ignore: input magnetization per site was None')
-def test_supported_spin_types(default_builder_inputs):
+def test_supported_spin_types(generator, default_builder_inputs):
     """Test calling ``get_builder`` for the supported ``spin_types``."""
     inputs = default_builder_inputs
 
-    for spin_type in GENERATOR.spec().inputs['spin_type'].choices:
+    for spin_type in generator.spec().inputs['spin_type'].choices:
         inputs['spin_type'] = spin_type
-        builder = GENERATOR.get_builder(**inputs)
+        builder = generator.get_builder(**inputs)
         assert isinstance(builder, engine.ProcessBuilder)

tests/workflows/relax/test_bigdft.py

@@ -1,10 +1,11 @@
 """Tests for the :mod:`aiida_common_workflows.workflows.relax.bigdft` module."""
-
 import pytest
 from aiida import engine, plugins
 
-WORKCHAIN = plugins.WorkflowFactory('common_workflows.relax.bigdft')
-GENERATOR = WORKCHAIN.get_input_generator()
+
+@pytest.fixture
+def generator():
+    return plugins.WorkflowFactory('common_workflows.relax.bigdft').get_input_generator()
 
 
 @pytest.fixture
@@ -21,47 +22,47 @@ def default_builder_inputs(generate_code, generate_structure):
     }
 
 
-def test_get_builder(default_builder_inputs):
+def test_get_builder(generator, default_builder_inputs):
     """Test the ``get_builder`` with default arguments."""
-    builder = GENERATOR.get_builder(**default_builder_inputs)
+    builder = generator.get_builder(**default_builder_inputs)
     assert isinstance(builder, engine.ProcessBuilder)
 
 
 @pytest.mark.skip('Running this test will fail with an `UnroutableError` in `kiwipy`.')
-def test_submit(default_builder_inputs):
+def test_submit(generator, default_builder_inputs):
     """Test submitting the builder returned by ``get_builder`` called with default arguments.
 
     This will actually create the ``WorkChain`` instance, so if it doesn't raise, that means the input spec was valid.
     """
-    builder = GENERATOR.get_builder(**default_builder_inputs)
+    builder = generator.get_builder(**default_builder_inputs)
     engine.submit(builder)
 
 
-def test_supported_electronic_types(default_builder_inputs):
+def test_supported_electronic_types(generator, default_builder_inputs):
     """Test calling ``get_builder`` for the supported ``electronic_types``."""
     inputs = default_builder_inputs
 
-    for electronic_type in GENERATOR.spec().inputs['electronic_type'].choices:
+    for electronic_type in generator.spec().inputs['electronic_type'].choices:
         inputs['electronic_type'] = electronic_type
-        builder = GENERATOR.get_builder(**inputs)
+        builder = generator.get_builder(**inputs)
         assert isinstance(builder, engine.ProcessBuilder)
 
 
-def test_supported_relax_types(default_builder_inputs):
+def test_supported_relax_types(generator, default_builder_inputs):
     """Test calling ``get_builder`` for the supported ``relax_types``."""
     inputs = default_builder_inputs
 
-    for relax_type in GENERATOR.spec().inputs['relax_type'].choices:
+    for relax_type in generator.spec().inputs['relax_type'].choices:
         inputs['relax_type'] = relax_type
-        builder = GENERATOR.get_builder(**inputs)
+        builder = generator.get_builder(**inputs)
         assert isinstance(builder, engine.ProcessBuilder)
 
 
-def test_supported_spin_types(default_builder_inputs):
+def test_supported_spin_types(generator, default_builder_inputs):
     """Test calling ``get_builder`` for the supported ``spin_types``."""
     inputs = default_builder_inputs
 
-    for spin_type in GENERATOR.spec().inputs['spin_type'].choices:
+    for spin_type in generator.spec().inputs['spin_type'].choices:
         inputs['spin_type'] = spin_type
-        builder = GENERATOR.get_builder(**inputs)
+        builder = generator.get_builder(**inputs)
         assert isinstance(builder, engine.ProcessBuilder)