Increase CI sensitivity by testing both lowest-direct and highest dependency resolution strategy

.github/workflows/testing.yml

@@ -35,14 +35,20 @@ jobs:
     runs-on: ubuntu-latest
     strategy:
       matrix:
-        python-version: ['3.9', '3.10', '3.11']
+        version:
+          - { python: "3.9", resolution: highest, extras: "tests,strict" }
+          - { python: "3.10", resolution: lowest-direct, extras: "tests" }
+          - { python: "3.11", resolution: highest, extras: tests }
+          # python 3.12 CI failing due to maggma incompatible, see
+          # https://github.com/materialsproject/jobflow/pull/640#issuecomment-2209055692
+          # - { python: "3.12", resolution: lowest-direct, extras: tests }
 
     steps:
       - uses: actions/checkout@v4
 
       - uses: actions/setup-python@v5
         with:
-          python-version: ${{ matrix.python-version }}
+          python-version: ${{ matrix.version.python }}
           cache: pip
           cache-dependency-path: pyproject.toml
 
@@ -52,13 +58,13 @@ jobs:
       - name: Install dependencies
         run: |
           pip install uv
-          uv pip install .[strict,tests] --system
+          uv pip install '.[${{ matrix.version.extras }}]' --system --resolution=${{ matrix.version.resolution }}
 
       - name: Test
         run: pytest --cov=jobflow --cov-report=xml
 
       - uses: codecov/codecov-action@v1
-        if: matrix.python-version == '3.11' && github.repository == 'materialsproject/jobflow'
+        if: matrix.version.python == '3.11' && github.repository == 'materialsproject/jobflow'
         with:
           token: ${{ secrets.CODECOV_TOKEN }}
           file: ./coverage.xml

.pre-commit-config.yaml

@@ -3,7 +3,7 @@ default_language_version:
 exclude: "^src/atomate2/vasp/schemas/calc_types/"
 repos:
   - repo: https://github.com/charliermarsh/ruff-pre-commit
-    rev: v0.4.2
+    rev: v0.5.4
     hooks:
       - id: ruff
         args: [--fix]
@@ -17,7 +17,7 @@ repos:
       - id: end-of-file-fixer
       - id: trailing-whitespace
   - repo: https://github.com/asottile/blacken-docs
-    rev: 1.16.0
+    rev: 1.18.0
     hooks:
       - id: blacken-docs
         additional_dependencies: [black]
@@ -43,7 +43,7 @@ repos:
       - id: rst-directive-colons
       - id: rst-inline-touching-normal
   - repo: https://github.com/pre-commit/mirrors-mypy
-    rev: v1.10.0
+    rev: v1.11.0
     hooks:
       - id: mypy
         files: ^src/
@@ -52,7 +52,7 @@ repos:
           - types-pkg_resources==0.1.2
           - types-paramiko
   - repo: https://github.com/codespell-project/codespell
-    rev: v2.2.6
+    rev: v2.3.0
     hooks:
       - id: codespell
         stages: [commit, commit-msg]

pyproject.toml

@@ -26,13 +26,13 @@ classifiers = [
 ]
 requires-python = ">=3.9"
 dependencies = [
-    "PyYAML",
-    "maggma>=0.57.0",
+    "PyYAML>=6.0.1",
+    "maggma>=0.69.0",
     "monty>=2023.9.25",
-    "networkx",
+    "networkx>=3.2.1",
     "pydantic-settings>=2.0.3",
-    "pydantic>=2.0.1",
-    "pydash",
+    "pydantic>=2.4",
+    "pydash>=8.0.1",
 ]
 
 [project.optional-dependencies]

src/jobflow/core/maker.py

@@ -261,7 +261,7 @@ def recursive_call(
 
     if isinstance(class_filter, Maker):
         # Maker instance supplied rather than a Maker class
-        class_filter = class_filter.__class__
+        class_filter = class_filter.__class__  # type: ignore[assignment]
 
     def _filter(nested_obj: Maker):
         # Filter the Maker object

tests/core/test_flow.py

@@ -354,6 +354,8 @@ def test_graph():
 
 
 def test_draw_graph():
+    pytest.importorskip("matplotlib")
+
     from jobflow import Flow, JobOrder
 
     # test unconnected graph
@@ -383,8 +385,9 @@ def test_draw_graph():
     assert flow.draw_graph()
 
 
-@pytest.mark.usefixtures("no_pydot")
-def test_draw_graph_nopydot():
+def test_draw_graph_nopydot(no_pydot):
+    pytest.importorskip("matplotlib")
+
     from jobflow import Flow, JobOrder
 
     # test unconnected graph

tests/core/test_store.py

@@ -32,6 +32,8 @@ def test_basic(memory_store):
 
 
 def test_additional(memory_store):
+    pytest.importorskip("moto")
+
     from copy import deepcopy
 
     import boto3

tests/managers/test_fireworks.py

@@ -1,5 +1,7 @@
 import pytest
 
+pytest.importorskip("fireworks")
+
 
 def test_flow_to_workflow(
     memory_jobstore, simple_job, simple_flow, connected_flow, nested_flow
@@ -13,7 +15,7 @@ def test_flow_to_workflow(
     flow = simple_job()
     wf = flow_to_workflow(flow, memory_jobstore)
 
-    assert type(wf) == Workflow
+    assert type(wf) is Workflow
     assert wf.name == "Flow"
     assert len(wf.fws) == 1
     assert wf.fws[0].name == "func"
@@ -22,7 +24,7 @@ def test_flow_to_workflow(
     flow = simple_job()
     wf = flow_to_workflow(flow, name="custom_name")
 
-    assert type(wf) == Workflow
+    assert type(wf) is Workflow
     assert wf.name == "custom_name"
     assert len(wf.fws) == 1
     assert wf.fws[0].name == "func"
@@ -31,7 +33,7 @@ def test_flow_to_workflow(
     flow = simple_flow()
     wf = flow_to_workflow(flow, memory_jobstore)
 
-    assert type(wf) == Workflow
+    assert type(wf) is Workflow
     assert wf.name == "Flow"
     assert len(wf.fws) == 1
     assert wf.fws[0].name == "func"
@@ -40,7 +42,7 @@ def test_flow_to_workflow(
     flow = connected_flow()
     wf = flow_to_workflow(flow, memory_jobstore)
 
-    assert type(wf) == Workflow
+    assert type(wf) is Workflow
     assert wf.name == "Connected Flow"
     assert len(wf.fws) == 2
     assert wf.fws[0].name == "func"
@@ -81,15 +83,15 @@ def test_job_to_firework(
     job = simple_job()
     fw = job_to_firework(job, memory_jobstore)
 
-    assert type(fw) == Firework
+    assert type(fw) is Firework
     assert fw.name == "func"
 
     job2 = simple_job()
     fw = job_to_firework(
         job2, memory_jobstore, parents=[job.uuid], parent_mapping={job.uuid: 1}
     )
 
-    assert type(fw) == Firework
+    assert type(fw) is Firework
     assert fw.name == "func"
 
     with pytest.raises(ValueError, match="Both or neither of"):

tests/utils/test_graph.py

@@ -33,6 +33,8 @@ def test_itergraph():
 
 
 def test_draw_graph():
+    pytest.importorskip("matplotlib")
+
     from networkx import DiGraph, planar_layout
 
     from jobflow.utils.graph import draw_graph
@@ -43,8 +45,9 @@ def test_draw_graph():
     assert draw_graph(graph, layout_function=planar_layout)
 
 
-@pytest.mark.usefixtures("no_pydot")
-def test_draw_graph_no_pydot():
+def test_draw_graph_no_pydot(no_pydot):
+    pytest.importorskip("matplotlib")
+
     from networkx import DiGraph
 
     from jobflow.utils.graph import draw_graph
@@ -53,8 +56,7 @@ def test_draw_graph_no_pydot():
     assert draw_graph(graph)
 
 
-@pytest.mark.usefixtures("no_matplotlib")
-def test_draw_graph_no_matplotlib():
+def test_draw_graph_no_matplotlib(no_matplotlib):
     from networkx import DiGraph
 
     import jobflow.utils.graph
@@ -71,6 +73,8 @@ def add(a, b):
 
 
 def test_to_pydot():
+    pytest.importorskip("pydot")
+
     from jobflow import Flow, Job
     from jobflow.utils.graph import to_pydot
 

tests/utils/test_uid.py

@@ -2,6 +2,8 @@
 
 
 def test_uid():
+    pytest.importorskip("ulid")
+
     from uuid import UUID
 
     from ulid import ULID