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| Name: python3-pyscf | Distribution: Fedora Project |
| Version: 2.7.0 | Vendor: Fedora Project |
| Release: 1.fc41 | Build date: Thu Sep 26 08:30:20 2024 |
| Group: Unspecified | Build host: buildvm-a64-12.iad2.fedoraproject.org |
| Size: 83688122 | Source RPM: python-pyscf-2.7.0-1.fc41.src.rpm |
| Packager: Fedora Project | |
| Url: https://github.com/pyscf/pyscf/ | |
| Summary: Python 3 module for quantum chemistry | |
Python‐based simulations of chemistry framework (PySCF) is a general‐purpose electronic structure platform designed from the ground up to emphasize code simplicity, so as to facilitate new method development and enable flexible computational workflows. The package provides a wide range of tools to support simulations of finite‐size systems, extended systems with periodic boundary conditions, low‐dimensional periodic systems, and custom Hamiltonians, using mean‐field and post‐mean‐field methods with standard Gaussian basis functions. To ensure ease of extensibility, PySCF uses the Python language to implement almost all of its features, while computationally critical paths are implemented with heavily optimized C routines. Using this combined Python/C implementation, the package is as efficient as the best existing C or Fortran‐based quantum chemistry programs.
Apache-2.0
* Thu Sep 26 2024 Susi Lehtola <[email protected]> - 2.7.0-1 - Update to 2.7.0. * Wed Sep 04 2024 Susi Lehtola <[email protected]> - 2.6.2-1 - Update to 2.6.2. * Wed Jul 24 2024 Miroslav Suchý <[email protected]> - 2.6.0-6 - convert license to SPDX * Fri Jul 19 2024 Fedora Release Engineering <[email protected]> - 2.6.0-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_41_Mass_Rebuild * Wed Jun 19 2024 Susi Lehtola <[email protected]> - 2.6.0-4 - Patch to load in new library where it is needed. * Fri Jun 14 2024 Susi Lehtola <[email protected]> - 2.6.0-3 - Filter out a new internal dependency from rpm tracking. * Sat Jun 08 2024 Python Maint <[email protected]> - 2.6.0-2 - Rebuilt for Python 3.13 * Wed Jun 05 2024 Susi Lehtola <[email protected]> - 2.6.0-1 - Update to 2.6.0. * Sat May 18 2024 Susi Lehtola <[email protected]> - 2.5.0-1 - Update to 2.5.0. * Fri Jan 26 2024 Fedora Release Engineering <[email protected]> - 2.4.0-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Mon Jan 22 2024 Fedora Release Engineering <[email protected]> - 2.4.0-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Fri Oct 20 2023 Susi Lehtola <[email protected]> - 2.4.0-1 - Update to 2.4.0. * Fri Jul 21 2023 Fedora Release Engineering <[email protected]> - 2.3.0-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Wed Jul 12 2023 Python Maint <[email protected]> - 2.3.0-2 - Rebuilt for Python 3.12 * Sat Jul 08 2023 Susi Lehtola <[email protected]> - 2.3.0-1 - Update to 2.3.0. * Mon Apr 03 2023 Susi Lehtola <[email protected]> - 2.2.1-1 - Update to 2.2.1. * Thu Mar 16 2023 Susi Lehtola <[email protected]> - 2.2.0-1 - Update to 2.2.0. * Fri Jan 20 2023 Fedora Release Engineering <[email protected]> - 2.1.1-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Tue Oct 25 2022 Susi Lehtola <[email protected]> - 2.1.1-2 - Rebuild with libxc 6.0.0 in rawhide.
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