python-pyscf-2.4.0-3.fc40 | Build Info

Information for build python-pyscf-2.4.0-3.fc40

293467

Package Name

python-pyscf

Version

2.4.0

Release

3.fc40

Epoch

Source

git+https://src.fedoraproject.org/rpms/python-pyscf.git#aa2ac23b8bdcb92695aee00615f0479edc229b93

Summary

Python module for quantum chemistry

Description

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.

Built by

davidlt

State

complete

Volume

DEFAULT

Started

Tue, 19 Mar 2024 19:22:38 UTC

Completed

Wed, 20 Mar 2024 06:12:13 UTC

Task

build (f40, /rpms/python-pyscf.git:aa2ac23b8bdcb92695aee00615f0479edc229b93)

Extra

{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/python-pyscf.git#aa2ac23b8bdcb92695aee00615f0479edc229b93'}}

Tags

f40

f41

RPMs

src
	python-pyscf-2.4.0-3.fc40.src.rpm (info) (download)
riscv64
	python3-pyscf-2.4.0-3.fc40.riscv64.rpm (info) (download)
	python-pyscf-debugsource-2.4.0-3.fc40.riscv64.rpm (info) (download)
	python3-pyscf-debuginfo-2.4.0-3.fc40.riscv64.rpm (info) (download)

Logs

riscv64
	state.log
	hw_info.log
	build.log
	root.log
	mock_output.log

Changelog

* Fri Jan 26 2024 Fedora Release Engineering <releng@fedoraproject.org> - 2.4.0-3 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * Mon Jan 22 2024 Fedora Release Engineering <releng@fedoraproject.org> - 2.4.0-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_40_Mass_Rebuild * 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

Main Site Links:

Information for build python-pyscf-2.4.0-3.fc40