Thu, 12 Dec 2024 12:29:57 UTC | login

Information for build python-pyscf-2.4.0-1.fc40

ID255866
Package Namepython-pyscf
Version2.4.0
Release1.fc40
Epoch
Sourcegit+https://src.fedoraproject.org/rpms/python-pyscf.git#c02bc67528e43af7c51cf3ede5ba25b9f31653d7
SummaryPython module for quantum chemistry
DescriptionPython‐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.
Built bydavidlt
State failed
Volume DEFAULT
StartedTue, 09 Jan 2024 17:09:44 UTC
CompletedTue, 09 Jan 2024 17:40:24 UTC
Taskbuild (f40, /rpms/python-pyscf.git:c02bc67528e43af7c51cf3ede5ba25b9f31653d7)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/python-pyscf.git#c02bc67528e43af7c51cf3ede5ba25b9f31653d7'}}
Tags No tags
RPMs No RPMs
Changelog * Fri Oct 20 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.4.0-1 - Update to 2.4.0. * Fri Jul 21 2023 Fedora Release Engineering <releng@fedoraproject.org> - 2.3.0-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_39_Mass_Rebuild * Wed Jul 12 2023 Python Maint <python-maint@redhat.com> - 2.3.0-2 - Rebuilt for Python 3.12 * Sat Jul 08 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.3.0-1 - Update to 2.3.0. * Mon Apr 03 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.2.1-1 - Update to 2.2.1. * Thu Mar 16 2023 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.2.0-1 - Update to 2.2.0. * Fri Jan 20 2023 Fedora Release Engineering <releng@fedoraproject.org> - 2.1.1-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_38_Mass_Rebuild * Tue Oct 25 2022 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.1.1-2 - Rebuild with libxc 6.0.0 in rawhide. * Mon Sep 26 2022 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.1.1-1 - Update to 2.1.1. * Sun Sep 04 2022 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.1.0-1 - Update to 2.1.0. * Fri Jul 22 2022 Fedora Release Engineering <releng@fedoraproject.org> - 2.0.1-6 - Rebuilt for https://fedoraproject.org/wiki/Fedora_37_Mass_Rebuild * Tue Jun 14 2022 Python Maint <python-maint@redhat.com> - 2.0.1-5 - Rebuilt for Python 3.11 * Fri Jan 21 2022 Fedora Release Engineering <releng@fedoraproject.org> - 2.0.1-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_36_Mass_Rebuild * Sat Dec 25 2021 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.1-3 - Patch for libcint 5.1.x compatibility. * Wed Dec 08 2021 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.1-2 - Build against xcfun. * Fri Nov 26 2021 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.0.1-1 - Update to 2.0.1.