python-pyscf-2.2.1-1.fc38 | Build Info

Information for build python-pyscf-2.2.1-1.fc38

248545

Package Name

python-pyscf

Version

2.2.1

Release

1.fc38

Epoch

Source

git+https://src.fedoraproject.org/rpms/python-pyscf.git#539b563f0a0361b872fe092cfecf8ad82fe36dbe

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

Wed, 31 May 2023 12:13:13 UTC

Completed

Wed, 31 May 2023 13:57:52 UTC

Task

build (f38, /rpms/python-pyscf.git:539b563f0a0361b872fe092cfecf8ad82fe36dbe)

Extra

{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/python-pyscf.git#539b563f0a0361b872fe092cfecf8ad82fe36dbe'}}

Tags

f38

f39

f40

RPMs

src
	python-pyscf-2.2.1-1.fc38.src.rpm (info) (download)
riscv64
	python3-pyscf-2.2.1-1.fc38.riscv64.rpm (info) (download)
	python-pyscf-debugsource-2.2.1-1.fc38.riscv64.rpm (info) (download)
	python3-pyscf-debuginfo-2.2.1-1.fc38.riscv64.rpm (info) (download)

Logs

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

Changelog

* 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. * Fri Jul 23 2021 Fedora Release Engineering <releng@fedoraproject.org> - 1.7.6-4 - Rebuilt for https://fedoraproject.org/wiki/Fedora_35_Mass_Rebuild * Tue Jul 13 2021 Björn Esser <besser82@fedoraproject.org> - 1.7.6-3 - Properly set BLA_VENDOR to FlexiBLAS for cmake >= 3.19 * Fri Jun 04 2021 Python Maint <python-maint@redhat.com> - 1.7.6-2 - Rebuilt for Python 3.10

Main Site Links:

Information for build python-pyscf-2.2.1-1.fc38