Update packaging configuration to modern norms, and update CI test matrix

.github/workflows/python-package.yml

@@ -1,6 +1,3 @@
-# This workflow will install Python dependencies, run tests and lint with a variety of Python versions
-# For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions
-
 name: Python package
 
 on:
@@ -11,16 +8,16 @@ on:
 
 jobs:
   build:
-
     runs-on: ubuntu-latest
     strategy:
+      fail-fast: false
       matrix:
-        python-version: ["3.7", "3.8", "3.9", "3.10"]
+        python-version: ["3.9", "3.10", "3.11", "3.12", "3.13", "3.14"]
 
     steps:
-    - uses: actions/checkout@v2
+    - uses: actions/checkout@v4
     - name: Set up Python ${{ matrix.python-version }}
-      uses: actions/setup-python@v2
+      uses: actions/setup-python@v5
       with:
         python-version: ${{ matrix.python-version }}
     - name: Install dependencies and the package

.pre-commit-config.yaml

@@ -1,16 +1,16 @@
 repos:
   - repo: https://github.com/pycqa/isort
-    rev: 5.8.0
+    rev: 5.13.2
     hooks:
       - id: isort
         args: ["--profile", "black"]
   - repo: https://github.com/psf/black
-    rev: 21.5b0
+    rev: 25.1.0
     hooks:
       - id: black
         language_version: python3
-  - repo: https://github.com/myint/autoflake
-    rev: v1.4
+  - repo: https://github.com/PyCQA/autoflake
+    rev: v2.3.1
     hooks:
       - id: autoflake
         args:

pyproject.toml

@@ -1,6 +1,49 @@
 [build-system]
-requires = [
-  "setuptools >= 40.9.0",
-  "wheel"
-]
+requires = ["setuptools>=68.0", "wheel"]
 build-backend = "setuptools.build_meta"
+
+[project]
+name = "sciunit"
+version = "0.3.0.dev.0"
+description = "A test-driven framework for formally validating scientific models against data."
+readme = { file = "README.md", content-type = "text/markdown" }
+license = "MIT"
+authors = [
+  { name = "Rick Gerkin", email = "rgerkin@asu.edu" }
+]
+requires-python = ">=3.9"
+classifiers = [
+  "Programming Language :: Python :: 3",
+  "Programming Language :: Python :: 3.9",
+  "Programming Language :: Python :: 3.10",
+  "Programming Language :: Python :: 3.11",
+  "Programming Language :: Python :: 3.12",
+  "Programming Language :: Python :: 3.13",
+  "Programming Language :: Python :: 3.14",
+]
+dependencies = [
+  "bs4",
+  "cerberus>=1.2",
+  "deepdiff",
+  "gitpython",
+  "importlib-metadata",
+  "ipykernel",
+  "ipython",
+  "jsonpickle",
+  "lxml",
+  "matplotlib",
+  "nbconvert",
+  "nbformat",
+  "pandas>=0.18",
+  "quantities>=0.13.0",
+]
+
+[project.urls]
+Homepage = "http://sciunit.scidash.org"
+
+[project.scripts]
+sciunit = "sciunit.__main__:main"
+
+[tool.setuptools.packages.find]
+where = ["."]
+include = ["sciunit*"]

sciunit/capabilities.py

@@ -46,10 +46,10 @@ def source_check(cls, model: "sciunit.Model") -> bool:
                 dis_output = [word for word in dis_output if word]
 
                 if (
-                    "(NotImplementedError)" in dis_output
-                    or "(unimplemented)" in dis_output
-                    or "(CapabilityNotImplementedError)" in dis_output
-                    or "(NotImplemented)" in dis_output
+                    any("NotImplementedError" in t for t in dis_output)
+                    or any("unimplemented" in t for t in dis_output)
+                    or any("CapabilityNotImplementedError" in t for t in dis_output)
+                    or any("NotImplemented" in t for t in dis_output)
                 ):
                     cap_source = inspect.getsource(getattr(cls, method))
                     model_source = inspect.getsource(getattr(model, method))

sciunit/scores/collections.py

@@ -315,15 +315,15 @@ def __setattr__(self, attr, value):
 
     @property
     def related_data(self) -> pd.DataFrame:
-        return self.applymap(lambda x: x.related_data)
+        return self.map(lambda x: x.related_data)
 
     @property
     def scores_flat(self) -> list:
         return self.values.tolist()
 
     @property
     def scores(self) -> pd.DataFrame:
-        return self.applymap(lambda x: x.score)
+        return self.map(lambda x: x.score)
 
     score = scores  # Backwards compatibility
 
@@ -334,7 +334,7 @@ def norm_scores(self) -> pd.DataFrame:
         Returns:
             DataFrame: The DataFrame instance that contains norm scores as a matrix.
         """
-        return self.applymap(lambda x: x.norm_score)
+        return self.map(lambda x: x.norm_score)
 
     def stature(self, test: Test, model: Model) -> int:
         """Computes the relative rank of a model on a test compared to other models that were asked to take the test.
@@ -392,7 +392,7 @@ def _repr_html_(self):
         if self.show_mean:
             sm = sm.add_mean()
         if self.colorize:
-            obj = sm.style.applymap(sm.apply_score_color)
+            obj = sm.style.map(sm.apply_score_color)
         else:
             obj = super(ScoreMatrix, sm)
         return obj._repr_html_()

sciunit/scores/collections_m2m.py

@@ -159,7 +159,7 @@ def get_group(self, x: list) -> Any:
 
     def __getattr__(self, name: str) -> Any:
         if name in ["score", "norm_score", "related_data"]:
-            attr = self.applymap(lambda x: getattr(x, name))
+            attr = self.map(lambda x: getattr(x, name))
         else:
             attr = super(ScoreMatrixM2M, self).__getattribute__(name)
         return attr
@@ -171,4 +171,4 @@ def norm_scores(self) -> pd.DataFrame:
         Returns:
             DataFrame: A pandas DataFrame instance that contains norm scores.
         """
-        return self.applymap(lambda x: x.norm_score)
+        return self.map(lambda x: x.norm_score)

sciunit/suites.py

@@ -40,7 +40,7 @@ def __init__(
             optimizer (optional): A function to bind to self.optimize (first argument must be a TestSuite). Defaults to None.
         """
 
-        self.name = name if name else "Suite_%d" % random.randint(0, 1e12)
+        self.name = name if name else "Suite_%d" % random.randint(0, 10**12)
         if isinstance(tests, dict):
             for key, value in tests.items():
                 if not isinstance(value, Test):