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@github-actions github-actions released this 02 Dec 16:45
· 32 commits to master since this release
v0.3.0
13d9851

v0.3.0 (2024-12-02)

✏️

  • ✏️ Fix typo in pyproject.toml path (4dde1ef)

✨

  • ✨ Increase overall quality of handling, storing, selecting Groups, Increase user experience quality and code safety, Bug fixes. (ec6aac6)

Other

  • .* suffix can only be used with == or != operators (181004d)

  • 🍻 Add forgotten type fix (30f65d7)

  • 💚 Add hikari API tokens (847188d)

  • 💚 Can't install scipy on newest macs, maybe issue with 3.13; skip for now (3a613bc)

  • 💚 Make macos install gfortran (9d5da57)

  • 💚 Make macos install gfortran 2 (85d3d9e)

  • 💚 Make macos install gfortran 3 (b349f92)

  • 💚 Make macos install gfortran 4 (32175c0)

  • 📝 Align documentation style with that of picometer (f25ab46)

  • 🎉 Move to poetry package control, bump required python version to 3.9 (38397d1)

  • 🚚 Rename test directory to tests, remove some mentions of picometer (279926f)

  • groupcatalogue to make group dicts, hikari.typing, a->e (491b1cb)

  • Add a custom AmbiguousGroupAccessorWarning for clarity (8c8ab2e)

  • Add JSON files to git (414d047)

  • Add P21/n to the list of known structures (but not to pickles) (fa4d928)

  • Add P21/n to the list of known structures2 (but not to pickles) (b624353)

  • Add python 3.10 to test builds (6d87228)

  • Add some type hints (67d00de)

  • Add tests for hkl completeness scripts (1026827)

  • Add tests for HklFrame, including writing hkl and res (cd2d59f)

  • Add windows and mac os to test environments (e528da4)

  • Americanize all instances of Catalogue to Catalog (3438f82)

  • Apparently np.warnings doesn't exist in some versions; just try (f897412)

  • Apparently np.warnings doesn't exist in some versions; just try (62b62e6)

  • Apparently one refl is not always read correctly in Python3.10 (9159136)

  • Automatically generate the GroupCatalogue based on provided GroupCatalogueKey data (c6096a1)

  • Automatically get correct space group based on index, HM, HM-short*, or Hall name (b9ee7f8)

  • Bugfix: correctly type hint Match, remove fixed TODOs (fff5255)

  • Compose a Hall_symbol_PG.dat for point groups only (6009f6d)

  • Define all keys using clearer OOP syntax with registry (98e79ee)

  • Define new HklKeyDict to substitute old ambiguous HklKeys (c06d0e3)

  • Do not use >= when specified starred version of dependency (c03b44a)

  • Don't suggest buggy pandas 1.5.0 in requirements.txt (9908054)

  • Except ax.dist deprecation; any alternatives? (1ea5270)

  • Fix mpl deprecation issues, uncertainties not supported... (7e37464)

  • Fix code test environment to ubuntu-20.04 (7764931)

  • Fix error in shelx_4 hkl format docstring (6c7ae78)

  • Fix implementation for point groups (4fed404)

  • Fix issues with new HklKeyDict and HklKeyRegistrar (fea9177)

  • Fix platform-specific np.str to np.str_ (7400d26)

  • Fix python version 3.10 being interpreted as float (e9a55d1)

  • Fix temporary completeness statistics test (e44fe89)

  • Fix tests of similarity index comparisons to ignore heared lines (9f0907d)

  • Fix typo in test_space_groups_picked_match_hall (22594c0)

  • Fix wrong definition of d in HallSymbols (0d89742)

  • In catalog, change pickling protocol to 4 to support python 3.7 and 3.8 loader (8016a9c)

  • In catalog, replace f'{var=}' syntax from python 3.9 with f'var={var}' (a20a175)

  • In resources, replace importlib.resources.files from python 3.9 with open_binary & open_text (2c46c6c)

  • In type hints, replace collections.abc.Buffer from python 3.12 with simple bytes (0b27187)

  • Increased HklKeyRadius precision to float64 (f41abe8)

  • Make all docstrings and regexes with backslash raw (af20f77)

  • Make all docstrings and regexes with backslash raw 2 (278c5ee)

  • Merge branch 'development' (aa8476b)

  • Merge pull request #38 from Baharis/futureproof (9a96455)

Futureproof

  • Merge pull request #39 from Baharis/futureproof (87bfc47)

Futureproof

  • Merge pull request #40 from Baharis/hall_symbols (cd58abe)

Increase overall quality of handling, storing, selecting Groups; Increase user experience quality and code safety; Bug fixes.

  • Merge pull request #41 from Baharis/development (36888c6)

🔀 Bump minimum python to 3.9 and manage versioning with poetry

  • Merge remote-tracking branch 'origin/futureproof' into futureproof (08778c9)

  • Minor style and docstring improvements (f7258a8)

  • Modify implementation to account for point groups without '-p' at the beginning (12900b7)

  • Most of the HallSymbols work, some errors still to fix (f6e52bc)

  • One test is unpredictable on ubuntu-latest, no idea why (707b140)

  • Only check "older" python3.6 on ubuntu-20.04 (1505106)

  • Preserve hkl key 'equiv' to consistently be of dtype np.int64 (3bf53f6)

  • Preserve hkl key 'equiv' to consistently be of dtype np.int64 (3724333)

  • Prevent deprecation failure by adding observed=False to hkl table groupby (fa05b53)

  • Regenerate pickles and update pickle-dumping/loading mechanism (841e6f3)

  • Remove HklFrame.keys and HklIo.keys altogether (de8a67d)

  • Remove all usage of pickle from the code (4362cdd)

  • Remove debug print statements (d6d5f0f)

  • Remove ReST references to deleted modules, minor fixes (6aebac0)

  • Replace deprecated pandas delim_whitespace with sep='\s+' (5f91c8f)

  • Rewrite resources to use importlib.resources. Drop Python 3.7 support for resources and __future__.annotations. (cf8a606)

  • Since we drop __future__.annotations, replace Tuple, List, OrderedDict with tuple, list, dict (c9f53b9)

  • Skip tests that rely on tk GUI for development purposes until Python 3.13.1 fixes init.tcl (b5da0ea)

  • Switch serializer from pickle to JSON to avoid version conflicts and increase security (81d927c)

  • Tests fail @ Python 3.10, TODO: fix matplotlib deprecation (cabf95b)

  • Todos; fix BaseFrame reading angles from incorrect fields (88e6380)

  • Tweak, move HallSymbol to separate file (5ab853c)

  • Update SG pickle, simplify its dumping, add strong Group tests (2168209)

  • Wip: Start implementing generating SGs from Hall Symbols (2aba1de)

  • Write docstring, ultimately remove point/space_group.py/.json, adapt tests (f6fa4f0)

Detailed Changes: v0.2.3...v0.3.0

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