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Bump mendeleev from 0.18.1 to 0.19.0 #1597

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merged 5 commits into from
Nov 7, 2024

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@dependabot dependabot bot commented on behalf of github Nov 7, 2024

Bumps mendeleev from 0.18.1 to 0.19.0.

Release notes

Sourced from mendeleev's releases.

v0.19.0

What's Changed

Full Changelog: lmmentel/mendeleev@v0.18.1...v0.19.0

Changelog

Sourced from mendeleev's changelog.

v0.19.0 (06.11.2024)

  • [DOC] Update docs for atomic scattering factor by :user:@lmmentel in :pr:203
  • [ENH] Add Miedema's scale of electronegativity by :user:@lmmentel in :pr:204
  • [ENH] Improve data export by :user:@lmmentel in :pr:205
  • [ENH] Update ionization energy data and metadata from NIST ASD by :user:@lmmentel in :pr:192
  • [FIX] Correct the electronic configuration for Lr by :user:@lmmentel in :pr:190
  • [FIX] Fix footnotes on data doc page by :user:@lmmentel in :pr:206
  • [FIX] Typo in changelog by :user:@lmmentel in :pr:196
  • [FIX] Update values of oxidation states by :user:@lmmentel in :pr:202
  • [MNT] Add dependency caching in CI by :user:@lmmentel in :pr:197
  • [MNT] Add pytest-xdist to dev deps and configure to use all cores by :user:@lmmentel in :pr:201
  • [MNT] Bump versions of dev dependencies by :user:@lmmentel in :pr:200
  • [MNT] Improve performance of fetch_electronegativity by :user:@lmmentel in :pr:198
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Bumps [mendeleev](/~https://github.com/lmmentel/mendeleev) from 0.18.1 to 0.19.0.
- [Release notes](/~https://github.com/lmmentel/mendeleev/releases)
- [Changelog](/~https://github.com/lmmentel/mendeleev/blob/master/CHANGES.rst)
- [Commits](lmmentel/mendeleev@v0.18.1...v0.19.0)

---
updated-dependencies:
- dependency-name: mendeleev
  dependency-type: direct:production
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot bot added dependencies Pull requests that update a dependency file minor add functionality in a backward compatible manner labels Nov 7, 2024
@jan-janssen
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======================================================================
FAIL: test_mendeleev_property_list (atomic.structure.test_periodic_table.TestMendeleevInterface)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/tests/atomic/structure/test_periodic_table.py", line 170, in test_mendeleev_property_list
    self.assertEqual(
AssertionError: Lists differ: ['abu[1002 chars] 'en_pauling', 'evaporation_heat', 'fusion_hea[1013 chars]eff'] != ['abu[1002 chars] 'en_miedema', 'en_pauling', 'evaporation_heat[1079 chars]eff']

First differing element 48:
'en_pauling'
'en_miedema'

Second list contains 3 additional elements.
First extra element 114:
'vdw_radius_truhlar'

Diff is 2488 characters long. Set self.maxDiff to None to see it.

----------------------------------------------------------------------

@jan-janssen
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======================================================================
ERROR: test_non_modal_run (testing.test_exampleJob_non_modal.TestExampleJob.test_non_modal_run)
----------------------------------------------------------------------
Traceback (most recent call last):
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/tests/testing/test_exampleJob_non_modal.py", line 31, in test_non_modal_run
    ham_non_modal = self.project.create_job(
                    ^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/pyiron_atomistics/project.py", line 295, in create_job
    job = JobType(
          ^^^^^^^^
  File "/home/runner/miniconda3/envs/test/lib/python3.11/site-packages/pyiron_base/jobs/job/jobtype.py", line 80, in __new__
    job_class = cls.convert_str_to_class(
                ^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/runner/miniconda3/envs/test/lib/python3.11/site-packages/pyiron_base/jobs/job/jobtype.py", line 220, in convert_str_to_class
    job_module = importlib.import_module(job_class)
                 ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/runner/miniconda3/envs/test/lib/python3.11/importlib/__init__.py", line 126, in import_module
    return _bootstrap._gcd_import(name[level:], package, level)
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "<frozen importlib._bootstrap>", line 1204, in _gcd_import
  File "<frozen importlib._bootstrap>", line 1176, in _find_and_load
  File "<frozen importlib._bootstrap>", line 1147, in _find_and_load_unlocked
  File "<frozen importlib._bootstrap>", line 690, in _load_unlocked
  File "<frozen importlib._bootstrap_external>", line 940, in exec_module
  File "<frozen importlib._bootstrap>", line 241, in _call_with_frames_removed
  File "/home/runner/work/pyiron_atomistics/pyiron_atomistics/pyiron_atomistics/testing/randomatomistic.py", line 11, in <module>
    import pint
  File "/home/runner/miniconda3/envs/test/lib/python3.11/site-packages/pint/__init__.py", line 18, in <module>
    from .delegates.formatter._format_helpers import formatter
  File "/home/runner/miniconda3/envs/test/lib/python3.11/site-packages/pint/delegates/__init__.py", line 12, in <module>
    from . import txt_defparser
  File "/home/runner/miniconda3/envs/test/lib/python3.11/site-packages/pint/delegates/txt_defparser/__init__.py", line 12, in <module>
    from .defparser import DefParser
  File "/home/runner/miniconda3/envs/test/lib/python3.11/site-packages/pint/delegates/txt_defparser/defparser.py", line 10, in <module>
    from . import block, common, context, defaults, group, plain, system
  File "/home/runner/miniconda3/envs/test/lib/python3.11/site-packages/pint/delegates/txt_defparser/common.py", line 23, in <module>
    @dataclass(frozen=True)
     ^^^^^^^^^^^^^^^^^^^^^^
  File "/home/runner/miniconda3/envs/test/lib/python3.11/dataclasses.py", line 1222, in wrap
    return _process_class(cls, init, repr, eq, order, unsafe_hash,
           ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
  File "/home/runner/miniconda3/envs/test/lib/python3.11/dataclasses.py", line 993, in _process_class
    raise TypeError('cannot inherit frozen dataclass from a '
TypeError: cannot inherit frozen dataclass from a non-frozen one

----------------------------------------------------------------------

@jan-janssen jan-janssen marked this pull request as draft November 7, 2024 09:38
@jan-janssen
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This is related to hgrecco/pint#1969 and conda-forge/pint-feedstock#71

@jan-janssen jan-janssen closed this Nov 7, 2024
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dependabot bot commented on behalf of github Nov 7, 2024

OK, I won't notify you again about this release, but will get in touch when a new version is available. If you'd rather skip all updates until the next major or minor version, let me know by commenting @dependabot ignore this major version or @dependabot ignore this minor version. You can also ignore all major, minor, or patch releases for a dependency by adding an ignore condition with the desired update_types to your config file.

If you change your mind, just re-open this PR and I'll resolve any conflicts on it.

@jan-janssen jan-janssen reopened this Nov 7, 2024
@jan-janssen jan-janssen marked this pull request as ready for review November 7, 2024 11:17
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Pull Request Test Coverage Report for Build 11721872549

Details

  • 0 of 0 changed or added relevant lines in 0 files are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage remained the same at 70.897%

Totals Coverage Status
Change from base Build 11677990581: 0.0%
Covered Lines: 10777
Relevant Lines: 15201

💛 - Coveralls

@jan-janssen jan-janssen merged commit cb03b6a into main Nov 7, 2024
38 of 43 checks passed
@jan-janssen jan-janssen deleted the dependabot/pip/mendeleev-0.19.0 branch November 7, 2024 11:42
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