3.2.0rc0

Changed:

• Removed support for Python 2
• This version only supporting Python 3.10, 3.11, 3.12
• All docstrings style updated to numpydoc

Deprecated:

• Deprecated the diffpy.structure.applications module. Use
  diffpy.structure.apps instead

Removed:

• Removed all six compatibility code

Fixed:

• Repo structure modified to the new diffpy standard

3.2.0

What's Changed

• ENH: support python 3.8, 3.9, 3.10 by @dragonyanglong in #55
• Added support for _space_group.name_H-M_ref keyword in CIF files by @rozyczko in #56
• cookie release by @Tieqiong in #63
• Fix tests by @Sparks29032 in #66
• README requirement by @Tieqiong in #67
• fix Flake8 by @Tieqiong in #70
• migrate from pkg_resources to importlib.resources by @Tieqiong in #74
• modify doc/conf.py, reflect changes in test file by @Tieqiong in #75
• Update old URL in docstrings for API page by @Tieqiong in #77
• Fix docstrings for API reference. by @Tieqiong in #76
• Remove six usage by @Tieqiong in #79
• Remove deprecated applications module. by @Tieqiong in #78
• Update docstrings and format api by @Tieqiong in #80
• fix news and changelog by @Tieqiong in #82
• Cookie by @sbillinge in #83

New Contributors

• @dragonyanglong made their first contribution in #55
• @rozyczko made their first contribution in #56
• @Tieqiong made their first contribution in #63
• @Sparks29032 made their first contribution in #66
• @sbillinge made their first contribution in #83

Full Changelog: v3.1.0...3.2.0

Release 3.1.0

See CHANGELOG.md for detailed release notes.

The release is also available at PyPI and Conda.

Release 3.0.2

See CHANGELOG.md for detailed release notes.

The release is also available at PyPI and Conda.

Release 3.0.1

See CHANGELOG.md for detailed release notes.

Release is also available at https://pypi.python.org/pypi.

Release 3.0.0

See CHANGELOG.md for detailed release notes.

Release is also available at https://pypi.python.org/pypi.

Release 1.3.5

Changes since v1.3.4

• Disclaim compatibility with Python 2.6.
• Make output tarball from makesdist reproducible.
• Add convenience script debug.py for debugging unit tests.
• Allow iterators and generators in Structure init.
• Include micro field in sphinx version.
• Move package files to the src directory.
• Switch to automated TestCase discovery.
• Use the with context manager to close files.
• Make setup.py compatible with both Python 2 and 3.
• Avoid use of exec when working with AtomEye XCFG format.
• Remove unused exception IsotropyError.
• Return bool from SymOp.is_identity.
• Convert starred imports to explicit ones.
• Always update Atom.xyz, _U arrays in place.

Release is also available at https://pypi.python.org/pypi.

Release 1.3.4

Changes since v1.3.3

• Add more unit tests.
• Update tests to use the recent unittest API.
• Avoid trailing blanks when writing Discus files.
• Fix isotropicunit initialization.
• Fix Uisotropy bug in the GeneratorSite class.

Release is also available at https://pypi.python.org/pypi.

Release 1.3.3

Changes since v1.3.2

• Fix U, Uisoequiv, anisotropy handling in Atom init.
• Improve argument processing in the Lattice class.
• Support array arguments in Lattice functions dot, norm, dist, angle.
• Add function Lattice.rnorm.
• Add Structure.copy function for convenient duplication.

Release is also available at https://pypi.python.org/pypi.

Release 1.3.2

Changes since v1.3.1

• Always use SymmetryUtilities.epsilon as coordinates resolution.
• Allow setting coordinates resolution in CIF parser.
• Add eps keyword argument to P_cif and getParser.
• Add parser keyword arguments to loadStructure.