python3-qcelemental-0.28.0-4.fc41 in Fedora 41
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Package Info
🠗 Changelog
🠗 Dependencies
🠗 Provides
🠗 Files
Changelog
| Date | Author | Change |
|---|---|---|
| 2024-09-07 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 0.28.0-4 | - Add Requires: python3-networkx which appears to be necessary. |
| 2024-09-04 | Miroslav Suchý <msuchy at redhat dot com> - 0.28.0-3 | - convert license to SPDX |
| 2024-09-02 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 0.28.0-2 | - Restore dependencies that haven't been detected automatically (erroneously removed in 0.25.0-3). |
| 2024-08-28 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 0.28.0-1 | - Update to 0.28.0. - Enable tests. |
| 2024-07-19 | Fedora Release Engineering <releng at fedoraproject dot org> - 0.26.0-5 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild |
| 2024-06-29 | Python Maint <python dash maint at redhat dot com> - 0.26.0-4 | - Rebuilt for Python 3.13 |
| 2024-01-26 | Fedora Release Engineering <releng at fedoraproject dot org> - 0.26.0-3 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild |
| 2024-01-22 | Fedora Release Engineering <releng at fedoraproject dot org> - 0.26.0-2 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild |
| 2023-08-04 | Susi Lehtola <jussilehtola at fedoraproject dot org> - 0.26.0-1 | - Update to 0.26.0. |
| 2023-07-21 | Fedora Release Engineering <releng at fedoraproject dot org> - 0.25.1-2 | - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild |
Dependencies
Provides
- python-qcelemental
- python3-qcelemental
- python3.13-qcelemental
- python3.13dist(qcelemental)
- python3dist(qcelemental)
Files
- usr/
- lib/
- python3.13/
- site-packages/
- qcelemental/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- conftest.cpython-313.opt-1.pyc
- conftest.cpython-313.pyc
- covalent_radii.cpython-313.opt-1.pyc
- covalent_radii.cpython-313.pyc
- datum.cpython-313.opt-1.pyc
- datum.cpython-313.pyc
- exceptions.cpython-313.opt-1.pyc
- exceptions.cpython-313.pyc
- periodic_table.cpython-313.opt-1.pyc
- periodic_table.cpython-313.pyc
- testing.cpython-313.opt-1.pyc
- testing.cpython-313.pyc
- vanderwaals_radii.cpython-313.opt-1.pyc
- vanderwaals_radii.cpython-313.pyc
- checkup_data/
- README.md
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- cfour_primary_masses.cpython-313.opt-1.pyc
- cfour_primary_masses.cpython-313.pyc
- periodictable.cpython-313.opt-1.pyc
- periodictable.cpython-313.pyc
- physconst.cpython-313.opt-1.pyc
- physconst.cpython-313.pyc
- cfour_primary_masses.py
- periodictable.py
- physconst.py
- conftest.py
- covalent_radii.py
- data/
- README.md
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- alvarez_2008_covalent_radii.cpython-313.opt-1.pyc
- alvarez_2008_covalent_radii.cpython-313.pyc
- mantina_2009_vanderwaals_radii.cpython-313.opt-1.pyc
- mantina_2009_vanderwaals_radii.cpython-313.pyc
- nist_2011_atomic_weights.cpython-313.opt-1.pyc
- nist_2011_atomic_weights.cpython-313.pyc
- nist_2014_codata.cpython-313.opt-1.pyc
- nist_2014_codata.cpython-313.pyc
- nist_2018_codata.cpython-313.opt-1.pyc
- nist_2018_codata.cpython-313.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
- info/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- cpu_info.cpython-313.opt-1.pyc
- cpu_info.cpython-313.pyc
- dft_info.cpython-313.opt-1.pyc
- dft_info.cpython-313.pyc
- cpu_info.py
- data/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- cpu_data_blob.cpython-313.opt-1.pyc
- cpu_data_blob.cpython-313.pyc
- dft_data_blob.cpython-313.opt-1.pyc
- dft_data_blob.cpython-313.pyc
- cpu_data_blob.py
- dft_data_blob.py
- dft_info.py
- models/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- align.cpython-313.opt-1.pyc
- align.cpython-313.pyc
- basemodels.cpython-313.opt-1.pyc
- basemodels.cpython-313.pyc
- basis.cpython-313.opt-1.pyc
- basis.cpython-313.pyc
- common_models.cpython-313.opt-1.pyc
- common_models.cpython-313.pyc
- molecule.cpython-313.opt-1.pyc
- molecule.cpython-313.pyc
- procedures.cpython-313.opt-1.pyc
- procedures.cpython-313.pyc
- results.cpython-313.opt-1.pyc
- results.cpython-313.pyc
- types.cpython-313.opt-1.pyc
- types.cpython-313.pyc
- align.py
- basemodels.py
- basis.py
- common_models.py
- molecule.py
- procedures.py
- results.py
- types.py
- molparse/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- chgmult.cpython-313.opt-1.pyc
- chgmult.cpython-313.pyc
- from_arrays.cpython-313.opt-1.pyc
- from_arrays.cpython-313.pyc
- from_schema.cpython-313.opt-1.pyc
- from_schema.cpython-313.pyc
- from_string.cpython-313.opt-1.pyc
- from_string.cpython-313.pyc
- nucleus.cpython-313.opt-1.pyc
- nucleus.cpython-313.pyc
- pubchem.cpython-313.opt-1.pyc
- pubchem.cpython-313.pyc
- regex.cpython-313.opt-1.pyc
- regex.cpython-313.pyc
- to_schema.cpython-313.opt-1.pyc
- to_schema.cpython-313.pyc
- to_string.cpython-313.opt-1.pyc
- to_string.cpython-313.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-313.opt-1.pyc
- __init__.cpython-313.pyc
- align.cpython-313.opt-1.pyc
- align.cpython-313.pyc
- connectivity.cpython-313.opt-1.pyc
- connectivity.cpython-313.pyc
- molecular_formula.cpython-313.opt-1.pyc
- molecular_formula.cpython-313.pyc
- test_molutil.cpython-313.opt-1.pyc
- test_molutil.cpython-313.pyc
- align.py
- connectivity.py
- molecular_formula.py
- test_molutil.py
- periodic_table.py
- physical_constants/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- context.cpython-313.opt-1.pyc
- context.cpython-313.pyc
- ureg.cpython-313.opt-1.pyc
- ureg.cpython-313.pyc
- context.py
- ureg.py
- testing.py
- tests/
- __init__.py
- __pycache__/
- __init__.cpython-313.opt-1.pyc
- __init__.cpython-313.pyc
- addons.cpython-313.opt-1.pyc
- addons.cpython-313.pyc
- test_constants.cpython-313.opt-1.pyc
- test_constants.cpython-313.pyc
- test_covalentradii.cpython-313.opt-1.pyc
- test_covalentradii.cpython-313.pyc
- test_datum.cpython-313.opt-1.pyc
- test_datum.cpython-313.pyc
- test_gph_uno_bipartite.cpython-313.opt-1.pyc
- test_gph_uno_bipartite.cpython-313.pyc
- test_importing.cpython-313.opt-1.pyc
- test_importing.cpython-313.pyc
- test_info.cpython-313.opt-1.pyc
- test_info.cpython-313.pyc
- test_model_general.cpython-313.opt-1.pyc
- test_model_general.cpython-313.pyc
- test_model_results.cpython-313.opt-1.pyc
- test_model_results.cpython-313.pyc
- test_molecule.cpython-313.opt-1.pyc
- test_molecule.cpython-313.pyc
- test_molparse_align_chiral.cpython-313.opt-1.pyc
- test_molparse_align_chiral.cpython-313.pyc
- test_molparse_from_schema.cpython-313.opt-1.pyc
- test_molparse_from_schema.cpython-313.pyc
- test_molparse_from_string.cpython-313.opt-1.pyc
- test_molparse_from_string.cpython-313.pyc
- test_molparse_parse_nucleus_label.cpython-313.opt-1.pyc
- test_molparse_parse_nucleus_label.cpython-313.pyc
- test_molparse_pubchem.cpython-313.opt-1.pyc
- test_molparse_pubchem.cpython-313.pyc
- test_molparse_reconcile_nucleus.cpython-313.opt-1.pyc
- test_molparse_reconcile_nucleus.cpython-313.pyc
- test_molparse_to_schema.cpython-313.opt-1.pyc
- test_molparse_to_schema.cpython-313.pyc
- test_molparse_to_string.cpython-313.opt-1.pyc
- test_molparse_to_string.cpython-313.pyc
- test_molparse_validate_and_fill_chgmult.cpython-313.opt-1.pyc
- test_molparse_validate_and_fill_chgmult.cpython-313.pyc
- test_molutil.cpython-313.opt-1.pyc
- test_molutil.cpython-313.pyc
- test_periodictable.cpython-313.opt-1.pyc
- test_periodictable.cpython-313.pyc
- test_scipy_hungarian.cpython-313.opt-1.pyc
- test_scipy_hungarian.cpython-313.pyc
- test_testing.cpython-313.opt-1.pyc
- test_testing.cpython-313.pyc
- test_units.cpython-313.opt-1.pyc
- test_units.cpython-313.pyc
- test_utils.cpython-313.opt-1.pyc
- test_utils.cpython-313.pyc
- test_vanderwaalsradii.cpython-313.opt-1.pyc
- test_vanderwaalsradii.cpython-313.pyc
- test_zqcschema.cpython-313.opt-1.pyc
- test_zqcschema.cpython-313.pyc
- addons.py
- namespacemodule/
- dummy
- qcschema_instances/
- AtomicInput/
- dummy
- AtomicResult/
- dummy
- AtomicResultProperties/
- dummy
- BasisSet/
- dummy
- Molecule/
- dummy
- Provenance/
- dummy
- README.md
- AtomicInput/
- test_constants.py
- test_covalentradii.py
- test_datum.py
- test_gph_uno_bipartite.py
- test_importing.py
- test_info.py
- test_model_general.py
- test_model_results.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-313.opt-1.pyc
- __init__.cpython-313.pyc
- autodocs.cpython-313.opt-1.pyc
- autodocs.cpython-313.pyc
- gph_uno_bipartite.cpython-313.opt-1.pyc
- gph_uno_bipartite.cpython-313.pyc
- importing.cpython-313.opt-1.pyc
- importing.cpython-313.pyc
- internal.cpython-313.opt-1.pyc
- internal.cpython-313.pyc
- itertools.cpython-313.opt-1.pyc
- itertools.cpython-313.pyc
- misc.cpython-313.opt-1.pyc
- misc.cpython-313.pyc
- np_blockwise.cpython-313.opt-1.pyc
- np_blockwise.cpython-313.pyc
- np_rand3drot.cpython-313.opt-1.pyc
- np_rand3drot.cpython-313.pyc
- scipy_hungarian.cpython-313.opt-1.pyc
- scipy_hungarian.cpython-313.pyc
- serialization.cpython-313.opt-1.pyc
- serialization.cpython-313.pyc
- autodocs.py
- 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-0.28.0.dist-info/
- INSTALLER
- LICENSE
- METADATA
- WHEEL
- qcelemental/
- site-packages/
- python3.13/
- share/
- doc/
- python3-qcelemental/
- README.md
- python3-qcelemental/
- licenses/
- python3-qcelemental/
- LICENSE
- python3-qcelemental/
- doc/
- lib/
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