Add tests, iosrt, flake8, codecov

Author: bobleesj

.codecov.yml

@@ -10,7 +10,7 @@ coverage:
   status:
     patch:
       default:
-        target: '80'
+        target: '70'
         if_no_uploads: error
         if_not_found: success
         if_ci_failed: failure
@@ -20,12 +20,13 @@ coverage:
         target: auto
         if_no_uploads: error
         if_not_found: success
-        if_ci_failed: failure
+        if_ci_failed: error
         paths: '!*/tests/.*'
 
       tests:
         target: 97.9%
         paths: '*/tests/.*'
+        if_not_found: success
 
 flags:
   tests:

.flake8

@@ -4,13 +4,8 @@ exclude =
     __pycache__,
     build,
     dist,
-    doc/source/conf.py,
-    */doc/source/conf.py,
-    hooks/post_gen_project.py,
-    */__init__.py,
-    */debug.py
-builtins = cookiecutter
+    doc/source/conf.py
 max-line-length = 115
-# Ignore some style 'errors' produced while formatting by 'black' (see link below)
+# Ignore some style 'errors' produced while formatting by 'black'
 # https://black.readthedocs.io/en/stable/guides/using_black_with_other_tools.html#labels-why-pycodestyle-warnings
 extend-ignore = E203

.isort.cfg

@@ -0,0 +1,4 @@
+[settings]
+line_length = 115
+multi_line_output = 3
+include_trailing_comma = True

.pre-commit-config.yaml

@@ -1,28 +1,29 @@
 default_language_version:
-  python: python3
+    python: python3
 ci:
-  autofix_commit_msg: |
-    [pre-commit.ci] auto fixes from pre-commit hooks
-  autofix_prs: true
-  autoupdate_branch: 'pre-commit-autoupdate'
-  autoupdate_commit_msg: '[pre-commit.ci] pre-commit autoupdate'
-  autoupdate_schedule: monthly
-  skip: [no-commit-to-branch]
-  submodules: false
+    autofix_commit_msg: |
+        [pre-commit.ci] auto fixes from pre-commit hooks
+    autofix_prs: true
+    autoupdate_branch: 'pre-commit-autoupdate'
+    autoupdate_commit_msg: '[pre-commit.ci] pre-commit autoupdate'
+    autoupdate_schedule: monthly
+    skip: [no-commit-to-branch]
+    submodules: false
 repos:
   - repo: https://github.com/pre-commit/pre-commit-hooks
     rev: v4.6.0
     hooks:
       - id: check-yaml
-        exclude: 'environment.yml'
       - id: end-of-file-fixer
       - id: trailing-whitespace
-        exclude: '\.(rst|txt)$'
+      - id: check-case-conflict
+      - id: check-merge-conflict
+      - id: check-toml
+      - id: check-added-large-files
   - repo: https://github.com/psf/black
     rev: 24.4.2
     hooks:
       - id: black
-        exclude: '.*\.py'
   - repo: https://github.com/pycqa/flake8
     rev: 7.0.0
     hooks:

LICENSE_DANSE.txt

@@ -0,0 +1,23 @@
+**Added:**
+
+* <news item>
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>

news/TEMPLATE.rst

@@ -0,0 +1,19 @@
+import json
+from pathlib import Path
+
+import pytest
+
+
+@pytest.fixture
+def user_filesystem(tmp_path):
+    base_dir = Path(tmp_path)
+    home_dir = base_dir / "home_dir"
+    home_dir.mkdir(parents=True, exist_ok=True)
+    cwd_dir = base_dir / "cwd_dir"
+    cwd_dir.mkdir(parents=True, exist_ok=True)
+
+    home_config_data = {"username": "home_username", "email": "[email protected]"}
+    with open(home_dir / "diffpyconfig.json", "w") as f:
+        json.dump(home_config_data, f)
+
+    yield tmp_path

tests/conftest.py

@@ -23,11 +23,7 @@
 from diffpy.srfit.equation.builder import EquationFactory
 from diffpy.srfit.fitbase.calculator import Calculator
 from diffpy.srfit.fitbase.parameter import Parameter
-from diffpy.srfit.fitbase.recipeorganizer import (
-    RecipeContainer,
-    RecipeOrganizer,
-    equationFromString,
-)
+from diffpy.srfit.fitbase.recipeorganizer import RecipeContainer, RecipeOrganizer, equationFromString
 
 # ----------------------------------------------------------------------------
 

tests/test_recipeorganizer.py

@@ -18,13 +18,7 @@
 import unittest
 
 import numpy
-from utils import (
-    _msg_nopyobjcryst,
-    _msg_nostructure,
-    datafile,
-    has_pyobjcryst,
-    has_structure,
-)
+from utils import _msg_nopyobjcryst, _msg_nostructure, datafile, has_pyobjcryst, has_structure
 
 # ----------------------------------------------------------------------------
 

tests/test_sgconstraints.py

@@ -0,0 +1,10 @@
+"""Unit tests for __version__.py
+"""
+
+import diffpy.srfit
+
+
+def test_package_version():
+    """Ensure the package version is defined and not set to the initial placeholder."""
+    assert hasattr(diffpy.srfit, "__version__")
+    assert diffpy.srfit.__version__ != "0.0.0"