python3-qcelemental-0.50.1-1.fc44 in Fedora 44
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Package Info
🠗 Changelog
🠗 Dependencies
🠗 Provides
🠗 Files
Changelog
| Date | Author | Change |
|---|---|---|
| 2026-05-25 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 0.50.1-1 | - Update to 0.50.1. |
| 2026-05-18 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 0.50.0-0.2.rc5 | - Fix various issues in package. |
| 2026-05-18 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 0.50.0-0.1.rc5 | - Update to 0.50.0rc5. |
| 2026-04-20 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 0.30.1-1 | - Update to 0.30.1. |
| 2026-01-17 | Fedora Release Engineering <releng at fedoraproject dot org> - 0.29.0-7 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_44_Mass_Rebuild |
| 2025-09-19 | Python Maint <python dash maint at redhat dot com> - 0.29.0-6 | - Rebuilt for Python 3.14.0rc3 bytecode |
| 2025-08-26 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 0.29.0-5 | - Disable tests due to pydantic v1 incompatibility with Python 3.14. |
| 2025-07-25 | Fedora Release Engineering <releng at fedoraproject dot org> - 0.29.0-4 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_43_Mass_Rebuild |
| 2025-06-22 | Python Maint <python dash maint at redhat dot com> - 0.29.0-3 | - Rebuilt for Python 3.14 |
| 2025-06-12 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 0.29.0-2 | - rebuilt |
Dependencies
- python3 = 3.14
- python3-numpy
Provides
- python-qcelemental
- python3-qcelemental
- python3.14-qcelemental
- python3.14dist(qcelemental)
- python3dist(qcelemental)
Files
- usr/
- lib/
- python3.14/
- site-packages/
- qcelemental/
- __init__.py
- __pycache__/
- __init__.cpython-314.opt-1.pyc
- __init__.cpython-314.pyc
- conftest.cpython-314.opt-1.pyc
- conftest.cpython-314.pyc
- covalent_radii.cpython-314.opt-1.pyc
- covalent_radii.cpython-314.pyc
- datum.cpython-314.opt-1.pyc
- datum.cpython-314.pyc
- exceptions.cpython-314.opt-1.pyc
- exceptions.cpython-314.pyc
- periodic_table.cpython-314.opt-1.pyc
- periodic_table.cpython-314.pyc
- testing.cpython-314.opt-1.pyc
- testing.cpython-314.pyc
- vanderwaals_radii.cpython-314.opt-1.pyc
- vanderwaals_radii.cpython-314.pyc
- checkup_data/
- __init__.py
- __pycache__/
- __init__.cpython-314.opt-1.pyc
- __init__.cpython-314.pyc
- cfour_primary_masses.cpython-314.opt-1.pyc
- cfour_primary_masses.cpython-314.pyc
- periodictable.cpython-314.opt-1.pyc
- periodictable.cpython-314.pyc
- physconst.cpython-314.opt-1.pyc
- physconst.cpython-314.pyc
- cfour_primary_masses.py
- periodictable.py
- physconst.py
- conftest.py
- covalent_radii.py
- data/
- __init__.py
- __pycache__/
- __init__.cpython-314.opt-1.pyc
- __init__.cpython-314.pyc
- alvarez_2008_covalent_radii.cpython-314.opt-1.pyc
- alvarez_2008_covalent_radii.cpython-314.pyc
- mantina_2009_vanderwaals_radii.cpython-314.opt-1.pyc
- mantina_2009_vanderwaals_radii.cpython-314.pyc
- nist_2011_atomic_weights.cpython-314.opt-1.pyc
- nist_2011_atomic_weights.cpython-314.pyc
- nist_2014_codata.cpython-314.opt-1.pyc
- nist_2014_codata.cpython-314.pyc
- nist_2018_codata.cpython-314.opt-1.pyc
- nist_2018_codata.cpython-314.pyc
- alvarez_2008_covalent_radii.py
- mantina_2009_vanderwaals_radii.py
- nist_2011_atomic_weights.py
- nist_2014_codata.py
- nist_2018_codata.py
- datum.py
- exceptions.py
- models/
- __init__.py
- __pycache__/
- __init__.cpython-314.opt-1.pyc
- __init__.cpython-314.pyc
- align.cpython-314.opt-1.pyc
- align.cpython-314.pyc
- basemodels.cpython-314.opt-1.pyc
- basemodels.cpython-314.pyc
- basis.cpython-314.opt-1.pyc
- basis.cpython-314.pyc
- common_models.cpython-314.opt-1.pyc
- common_models.cpython-314.pyc
- molecule.cpython-314.opt-1.pyc
- molecule.cpython-314.pyc
- procedures.cpython-314.opt-1.pyc
- procedures.cpython-314.pyc
- results.cpython-314.opt-1.pyc
- results.cpython-314.pyc
- types.cpython-314.opt-1.pyc
- types.cpython-314.pyc
- _v1v2/
- __init__.py
- __pycache__/
- __init__.cpython-314.opt-1.pyc
- __init__.cpython-314.pyc
- atomic.cpython-314.opt-1.pyc
- atomic.cpython-314.pyc
- basemodels.cpython-314.opt-1.pyc
- basemodels.cpython-314.pyc
- basis_set.cpython-314.opt-1.pyc
- basis_set.cpython-314.pyc
- failed_operation.cpython-314.opt-1.pyc
- failed_operation.cpython-314.pyc
- molecule.cpython-314.opt-1.pyc
- molecule.cpython-314.pyc
- optimization.cpython-314.opt-1.pyc
- optimization.cpython-314.pyc
- atomic.py
- basemodels.py
- basis_set.py
- failed_operation.py
- molecule.py
- optimization.py
- align.py
- basemodels.py
- basis.py
- common_models.py
- molecule.py
- procedures.py
- results.py
- types.py
- v1/
- __init__.py
- __pycache__/
- __init__.cpython-314.opt-1.pyc
- __init__.cpython-314.pyc
- align.cpython-314.opt-1.pyc
- align.cpython-314.pyc
- basemodels.cpython-314.opt-1.pyc
- basemodels.cpython-314.pyc
- basis.cpython-314.opt-1.pyc
- basis.cpython-314.pyc
- common_models.cpython-314.opt-1.pyc
- common_models.cpython-314.pyc
- molecule.cpython-314.opt-1.pyc
- molecule.cpython-314.pyc
- procedures.cpython-314.opt-1.pyc
- procedures.cpython-314.pyc
- results.cpython-314.opt-1.pyc
- results.cpython-314.pyc
- types.cpython-314.opt-1.pyc
- types.cpython-314.pyc
- align.py
- basemodels.py
- basis.py
- common_models.py
- molecule.py
- procedures.py
- results.py
- types.py
- v2/
- __init__.py
- __pycache__/
- __init__.cpython-314.opt-1.pyc
- __init__.cpython-314.pyc
- align.cpython-314.opt-1.pyc
- align.cpython-314.pyc
- atomic.cpython-314.opt-1.pyc
- atomic.cpython-314.pyc
- basemodels.cpython-314.opt-1.pyc
- basemodels.cpython-314.pyc
- basis_set.cpython-314.opt-1.pyc
- basis_set.cpython-314.pyc
- common_models.cpython-314.opt-1.pyc
- common_models.cpython-314.pyc
- failed_operation.cpython-314.opt-1.pyc
- failed_operation.cpython-314.pyc
- molecule.cpython-314.opt-1.pyc
- molecule.cpython-314.pyc
- optimization.cpython-314.opt-1.pyc
- optimization.cpython-314.pyc
- torsion_drive.cpython-314.opt-1.pyc
- torsion_drive.cpython-314.pyc
- types.cpython-314.opt-1.pyc
- types.cpython-314.pyc
- align.py
- atomic.py
- basemodels.py
- basis_set.py
- common_models.py
- failed_operation.py
- molecule.py
- optimization.py
- torsion_drive.py
- types.py
- molparse/
- __init__.py
- __pycache__/
- __init__.cpython-314.opt-1.pyc
- __init__.cpython-314.pyc
- chgmult.cpython-314.opt-1.pyc
- chgmult.cpython-314.pyc
- from_arrays.cpython-314.opt-1.pyc
- from_arrays.cpython-314.pyc
- from_schema.cpython-314.opt-1.pyc
- from_schema.cpython-314.pyc
- from_string.cpython-314.opt-1.pyc
- from_string.cpython-314.pyc
- nucleus.cpython-314.opt-1.pyc
- nucleus.cpython-314.pyc
- pubchem.cpython-314.opt-1.pyc
- pubchem.cpython-314.pyc
- regex.cpython-314.opt-1.pyc
- regex.cpython-314.pyc
- to_schema.cpython-314.opt-1.pyc
- to_schema.cpython-314.pyc
- to_string.cpython-314.opt-1.pyc
- to_string.cpython-314.pyc
- chgmult.py
- from_arrays.py
- from_schema.py
- from_string.py
- nucleus.py
- pubchem.py
- regex.py
- to_schema.py
- to_string.py
- molutil/
- __init__.py
- __pycache__/
- __init__.cpython-314.opt-1.pyc
- __init__.cpython-314.pyc
- align.cpython-314.opt-1.pyc
- align.cpython-314.pyc
- connectivity.cpython-314.opt-1.pyc
- connectivity.cpython-314.pyc
- molecular_formula.cpython-314.opt-1.pyc
- molecular_formula.cpython-314.pyc
- align.py
- connectivity.py
- molecular_formula.py
- periodic_table.py
- physical_constants/
- __init__.py
- __pycache__/
- __init__.cpython-314.opt-1.pyc
- __init__.cpython-314.pyc
- context.cpython-314.opt-1.pyc
- context.cpython-314.pyc
- ureg.cpython-314.opt-1.pyc
- ureg.cpython-314.pyc
- context.py
- ureg.py
- testing.py
- tests/
- __init__.py
- __pycache__/
- __init__.cpython-314.opt-1.pyc
- __init__.cpython-314.pyc
- addons.cpython-314.opt-1.pyc
- addons.cpython-314.pyc
- test_constants.cpython-314.opt-1.pyc
- test_constants.cpython-314.pyc
- test_covalentradii.cpython-314.opt-1.pyc
- test_covalentradii.cpython-314.pyc
- test_datum.cpython-314.opt-1.pyc
- test_datum.cpython-314.pyc
- test_gph_uno_bipartite.cpython-314.opt-1.pyc
- test_gph_uno_bipartite.cpython-314.pyc
- test_importing.cpython-314.opt-1.pyc
- test_importing.cpython-314.pyc
- test_model_general.cpython-314.opt-1.pyc
- test_model_general.cpython-314.pyc
- test_model_results.cpython-314.opt-1.pyc
- test_model_results.cpython-314.pyc
- test_model_v1_incompat.cpython-314.opt-1.pyc
- test_model_v1_incompat.cpython-314.pyc
- test_molecule.cpython-314.opt-1.pyc
- test_molecule.cpython-314.pyc
- test_molparse_align_chiral.cpython-314.opt-1.pyc
- test_molparse_align_chiral.cpython-314.pyc
- test_molparse_from_schema.cpython-314.opt-1.pyc
- test_molparse_from_schema.cpython-314.pyc
- test_molparse_from_string.cpython-314.opt-1.pyc
- test_molparse_from_string.cpython-314.pyc
- test_molparse_parse_nucleus_label.cpython-314.opt-1.pyc
- test_molparse_parse_nucleus_label.cpython-314.pyc
- test_molparse_pubchem.cpython-314.opt-1.pyc
- test_molparse_pubchem.cpython-314.pyc
- test_molparse_reconcile_nucleus.cpython-314.opt-1.pyc
- test_molparse_reconcile_nucleus.cpython-314.pyc
- test_molparse_to_schema.cpython-314.opt-1.pyc
- test_molparse_to_schema.cpython-314.pyc
- test_molparse_to_string.cpython-314.opt-1.pyc
- test_molparse_to_string.cpython-314.pyc
- test_molparse_validate_and_fill_chgmult.cpython-314.opt-1.pyc
- test_molparse_validate_and_fill_chgmult.cpython-314.pyc
- test_molutil.cpython-314.opt-1.pyc
- test_molutil.cpython-314.pyc
- test_periodictable.cpython-314.opt-1.pyc
- test_periodictable.cpython-314.pyc
- test_scipy_hungarian.cpython-314.opt-1.pyc
- test_scipy_hungarian.cpython-314.pyc
- test_testing.cpython-314.opt-1.pyc
- test_testing.cpython-314.pyc
- test_units.cpython-314.opt-1.pyc
- test_units.cpython-314.pyc
- test_utils.cpython-314.opt-1.pyc
- test_utils.cpython-314.pyc
- test_vanderwaalsradii.cpython-314.opt-1.pyc
- test_vanderwaalsradii.cpython-314.pyc
- test_zqcschema.cpython-314.opt-1.pyc
- test_zqcschema.cpython-314.pyc
- addons.py
- test_constants.py
- test_covalentradii.py
- test_datum.py
- test_gph_uno_bipartite.py
- test_importing.py
- test_model_general.py
- test_model_results.py
- test_model_v1_incompat.py
- test_molecule.py
- test_molparse_align_chiral.py
- test_molparse_from_schema.py
- test_molparse_from_string.py
- test_molparse_parse_nucleus_label.py
- test_molparse_pubchem.py
- test_molparse_reconcile_nucleus.py
- test_molparse_to_schema.py
- test_molparse_to_string.py
- test_molparse_validate_and_fill_chgmult.py
- test_molutil.py
- test_periodictable.py
- test_scipy_hungarian.py
- test_testing.py
- test_units.py
- test_utils.py
- test_vanderwaalsradii.py
- test_zqcschema.py
- util/
- __init__.py
- __pycache__/
- __init__.cpython-314.opt-1.pyc
- __init__.cpython-314.pyc
- gph_uno_bipartite.cpython-314.opt-1.pyc
- gph_uno_bipartite.cpython-314.pyc
- importing.cpython-314.opt-1.pyc
- importing.cpython-314.pyc
- internal.cpython-314.opt-1.pyc
- internal.cpython-314.pyc
- itertools.cpython-314.opt-1.pyc
- itertools.cpython-314.pyc
- misc.cpython-314.opt-1.pyc
- misc.cpython-314.pyc
- np_blockwise.cpython-314.opt-1.pyc
- np_blockwise.cpython-314.pyc
- np_rand3drot.cpython-314.opt-1.pyc
- np_rand3drot.cpython-314.pyc
- scipy_hungarian.cpython-314.opt-1.pyc
- scipy_hungarian.cpython-314.pyc
- serialization.cpython-314.opt-1.pyc
- serialization.cpython-314.pyc
- gph_uno_bipartite.py
- importing.py
- internal.py
- itertools.py
- misc.py
- np_blockwise.py
- np_rand3drot.py
- scipy_hungarian.py
- serialization.py
- vanderwaals_radii.py
- qcelemental-0.50.1.dist-info/
- INSTALLER
- METADATA
- WHEEL
- licenses/
- LICENSE
- top_level.txt
- qcelemental/
- site-packages/
- python3.14/
- share/
- doc/
- python3-qcelemental/
- README.md
- python3-qcelemental/
- licenses/
- python3-qcelemental/
- LICENSE
- python3-qcelemental/
- doc/
- lib/
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