skpkg: change version build file.

src/diffpy/__init__.py

@@ -14,13 +14,3 @@
 # See LICENSE.rst for license information.
 #
 ##############################################################################
-"""diffpy - tools for structure analysis by diffraction.
-
-Blank namespace package for module diffpy."""
-
-
-from pkgutil import extend_path
-
-__path__ = extend_path(__path__, __name__)
-
-# End of file

src/diffpy/pdffit2/version.py

@@ -7,17 +7,22 @@
 # File coded by: Billinge Group members and community contributors.
 #
 # See GitHub contributions for a more detailed list of contributors.
-# https://github.com/diffpy/diffpy.pdffit2/graphs/contributors
+# https://github.com/diffpy/diffpy.pdffit2/graphs/contributors  # noqa: E501
 #
 # See LICENSE.rst for license information.
 #
 ##############################################################################
 """Definition of __version__."""
 
+#  We do not use the other three variables, but can be added back if needed.
+#  __all__ = ["__date__", "__git_commit__", "__timestamp__", "__version__"]
+
 import datetime
 import json
 import urllib.request
-from importlib.metadata import version
+
+# obtain version information
+from importlib.metadata import PackageNotFoundError, version
 from pathlib import Path
 
 
@@ -57,9 +62,9 @@ def get_pypi_release_date(package_name, timeout=5):
     return str(release_date)
 
 
-__version__ = version("diffpy.pdffit2")
 __date__ = get_pypi_release_date("diffpy.pdffit2")
 
-# End of file
-
-# Release date: 2025-02-07
+try:
+    __version__ = version("diffpy.pdffit2")
+except PackageNotFoundError:
+    __version__ = "unknown"

tests/test_exceptions.py

@@ -18,7 +18,8 @@
 
 import pytest
 
-from diffpy.pdffit2 import PdfFit, pdffit2
+from diffpy.pdffit2 import pdffit2
+from diffpy.pdffit2.pdffit import PdfFit
 
 
 class read_structExceptions(unittest.TestCase):

tests/test_pdffit.py

@@ -6,7 +6,8 @@
 
 import pytest
 
-from diffpy.pdffit2 import PdfFit, pdffit2
+from diffpy.pdffit2 import pdffit2
+from diffpy.pdffit2.pdffit import PdfFit
 from diffpy.structure import loadStructure
 
 # ----------------------------------------------------------------------------

tests/test_phase_fractions.py

@@ -6,7 +6,7 @@
 
 import pytest
 
-from diffpy.pdffit2 import PdfFit
+from diffpy.pdffit2.pdffit import PdfFit
 
 
 ##############################################################################

tests/test_shape_factors.py

@@ -8,7 +8,8 @@
 import numpy
 import pytest
 
-from diffpy.pdffit2 import PdfFit, pdffit2
+from diffpy.pdffit2 import pdffit2
+from diffpy.pdffit2.pdffit import PdfFit
 
 
 def spherefactor(r, d):