python-pyscf-2.6.0-4.fc41 | Build Info

Information for build python-pyscf-2.6.0-4.fc41

311610

Package Name

python-pyscf

Version

2.6.0

Release

4.fc41

Epoch

Source

git+https://src.fedoraproject.org/rpms/python-pyscf.git#dc8720ad45f89c1d09c0b42896ca14dcc9ee4507

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

Mon, 15 Jul 2024 11:12:01 UTC

Completed

Mon, 15 Jul 2024 11:56:02 UTC

Task

build (f41, /rpms/python-pyscf.git:dc8720ad45f89c1d09c0b42896ca14dcc9ee4507)

Extra

{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/python-pyscf.git#dc8720ad45f89c1d09c0b42896ca14dcc9ee4507'}}

Tags

f41

RPMs

src
	python-pyscf-2.6.0-4.fc41.src.rpm (info) (download)
riscv64
	python3-pyscf-2.6.0-4.fc41.riscv64.rpm (info) (download)
	python-pyscf-debugsource-2.6.0-4.fc41.riscv64.rpm (info) (download)
	python3-pyscf-debuginfo-2.6.0-4.fc41.riscv64.rpm (info) (download)

Logs

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

Changelog

* Wed Jun 19 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.6.0-4 - Patch to load in new library where it is needed. * Fri Jun 14 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.6.0-3 - Filter out a new internal dependency from rpm tracking. * Sat Jun 08 2024 Python Maint <python-maint@redhat.com> - 2.6.0-2 - Rebuilt for Python 3.13 * Wed Jun 05 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.6.0-1 - Update to 2.6.0. * Sat May 18 2024 Susi Lehtola <jussilehtola@fedoraproject.org> - 2.5.0-1 - Update to 2.5.0. * 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

Main Site Links:

Information for build python-pyscf-2.6.0-4.fc41