Name: python-qcelemental Version: 0.26.0 Release: 3%{?dist} Summary: Periodic table, physical constants, and molecule parsing for quantum chemistry License: BSD URL: https://github.com/MolSSI/QCElemental Source0: https://github.com/MolSSI/QCElemental/archive/v%{version}/%{name}-%{version}.tar.gz BuildArch: noarch BuildRequires: python3-devel %description 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. %package -n python3-qcelemental Summary: %{summary} %{?python_provide:%python_provide python3-qcelemental} Requires: python3dist(networkx) %description -n python3-qcelemental 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. %prep %setup -q -n QCElemental-%{version} # Remove bundled egg-info rm -rf QCElemental.*-info %generate_buildrequires %pyproject_buildrequires -t %build %pyproject_wheel %install %pyproject_install %files -n python3-qcelemental %license LICENSE %doc README.md %{python3_sitelib}/qcelemental %{python3_sitelib}/qcelemental-%{version}.dist-info %changelog * Fri Jan 26 2024 Fedora Release Engineering - 0.26.0-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Mon Jan 22 2024 Fedora Release Engineering - 0.26.0-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Fri Aug 04 2023 Susi Lehtola - 0.26.0-1 - Update to 0.26.0. * Fri Jul 21 2023 Fedora Release Engineering - 0.25.1-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Fri Jul 14 2023 Susi Lehtola - 0.25.1-1 - Update to 0.25.1. * Fri Jan 20 2023 Fedora Release Engineering - 0.25.0-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Mon Jul 25 2022 Miro Hrončok - 0.25.0-3 - Remove build dependencies from runtime * Fri Jul 22 2022 Fedora Release Engineering - 0.25.0-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Mon Jun 27 2022 Susi Lehtola - 0.25.0-1 - Update to 0.25.0. * Wed Jun 15 2022 Python Maint - 0.12.0-10 - Rebuilt for Python 3.11 * Fri Jan 21 2022 Fedora Release Engineering - 0.12.0-9 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Fri Jul 23 2021 Fedora Release Engineering - 0.12.0-8 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild * Fri Jun 04 2021 Python Maint - 0.12.0-7 - Rebuilt for Python 3.10 * Wed Jan 27 2021 Fedora Release Engineering - 0.12.0-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Wed Jul 29 2020 Fedora Release Engineering - 0.12.0-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Tue May 26 2020 Miro Hrončok - 0.12.0-4 - Rebuilt for Python 3.9 * Thu Jan 30 2020 Fedora Release Engineering - 0.12.0-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild * Wed Jan 08 2020 Susi Lehtola - 0.12.0-2 - Fix FTBFS: also pytest-cov is needed. * Mon Jan 06 2020 Susi Lehtola - 0.12.0-1 - Update to 0.12.0. - Review fixes. * Sat Jul 27 2019 Susi Lehtola - 0.5.0-1 - Initial package.