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| Name: python3-qcelemental | Distribution: Fedora Project |
| Version: 0.28.0 | Vendor: Fedora Project |
| Release: 4.fc41 | Build date: Sat Sep 7 10:55:04 2024 |
| Group: Unspecified | Build host: buildvm-s390x-08.s390.fedoraproject.org |
| Size: 4000283 | Source RPM: python-qcelemental-0.28.0-4.fc41.src.rpm |
| Packager: Fedora Project | |
| Url: https://github.com/MolSSI/QCElemental | |
| Summary: Periodic table, physical constants, and molecule parsing for quantum chemistry | |
QCElemental is a resource module for quantum chemistry containing physical constants and periodic table data from NIST and molecule handlers. Periodic Table and Physical Constants data are pulled from NIST srd144 and srd121, respectively (details) in a renewable manner (class around NIST-published JSON file). This project also contains a generator, validator, and translator for Molecule QCSchema.
LicenseRef-Callaway-BSD
* Sat Sep 07 2024 Susi Lehtola <[email protected]> - 0.28.0-4
- Add Requires: python3-networkx which appears to be necessary.
* Wed Sep 04 2024 Miroslav Suchý <[email protected]> - 0.28.0-3
- convert license to SPDX
* Mon Sep 02 2024 Susi Lehtola <[email protected]> - 0.28.0-2
- Restore dependencies that haven't been detected automatically
(erroneously removed in 0.25.0-3).
* Wed Aug 28 2024 Susi Lehtola <[email protected]> - 0.28.0-1
- Update to 0.28.0.
- Enable tests.
* Fri Jul 19 2024 Fedora Release Engineering <[email protected]> - 0.26.0-5
- Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild
* Sat Jun 29 2024 Python Maint <[email protected]> - 0.26.0-4
- Rebuilt for Python 3.13
* Fri Jan 26 2024 Fedora Release Engineering <[email protected]> - 0.26.0-3
- Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Mon Jan 22 2024 Fedora Release Engineering <[email protected]> - 0.26.0-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild
* Fri Aug 04 2023 Susi Lehtola <[email protected]> - 0.26.0-1
- Update to 0.26.0.
* Fri Jul 21 2023 Fedora Release Engineering <[email protected]> - 0.25.1-2
- Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild
* Fri Jul 14 2023 Susi Lehtola <[email protected]> - 0.25.1-1
- Update to 0.25.1.
* Fri Jan 20 2023 Fedora Release Engineering <[email protected]> - 0.25.0-4
- Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild
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