Sat, 28 Jan 2023 06:45:05 UTC

Information for build python-pyscf-2.1.0-1.fc37

ID2057863
Package Namepython-pyscf
Version2.1.0
Release1.fc37
Epoch
Sourcegit+https://src.fedoraproject.org/rpms/python-pyscf.git#7a3f3d40fc7c71bcbf565be0d341be0a23a09dd1
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 byjussilehtola
State complete
Volume DEFAULT
StartedSun, 04 Sep 2022 14:35:55 UTC
CompletedSun, 04 Sep 2022 14:46:05 UTC
Taskbuild (f37-candidate, /rpms/python-pyscf.git:7a3f3d40fc7c71bcbf565be0d341be0a23a09dd1)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/python-pyscf.git#7a3f3d40fc7c71bcbf565be0d341be0a23a09dd1'}}
Tags
f37
RPMs
src
python-pyscf-2.1.0-1.fc37.src.rpm (info) (download)
aarch64
python3-pyscf-2.1.0-1.fc37.aarch64.rpm (info) (download)
python-pyscf-debugsource-2.1.0-1.fc37.aarch64.rpm (info) (download)
python3-pyscf-debuginfo-2.1.0-1.fc37.aarch64.rpm (info) (download)
i686
python3-pyscf-2.1.0-1.fc37.i686.rpm (info) (download)
python-pyscf-debugsource-2.1.0-1.fc37.i686.rpm (info) (download)
python3-pyscf-debuginfo-2.1.0-1.fc37.i686.rpm (info) (download)
s390x
python3-pyscf-2.1.0-1.fc37.s390x.rpm (info) (download)
python-pyscf-debugsource-2.1.0-1.fc37.s390x.rpm (info) (download)
python3-pyscf-debuginfo-2.1.0-1.fc37.s390x.rpm (info) (download)
x86_64
python3-pyscf-2.1.0-1.fc37.x86_64.rpm (info) (download)
python-pyscf-debugsource-2.1.0-1.fc37.x86_64.rpm (info) (download)
python3-pyscf-debuginfo-2.1.0-1.fc37.x86_64.rpm (info) (download)
Logs
i686
hw_info.log
state.log
build.log
root.log
mock_output.log
x86_64
hw_info.log
state.log
build.log
root.log
mock_output.log
aarch64
hw_info.log
state.log
build.log
root.log
mock_output.log
s390x
hw_info.log
state.log
build.log
root.log
mock_output.log
Changelog * 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 * Mon Mar 29 2021 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.7.6-1 - Update to 1.7.6. * Wed Jan 27 2021 Fedora Release Engineering <releng@fedoraproject.org> - 1.7.5-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_34_Mass_Rebuild * Mon Oct 05 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.7.5-1 - Update to 1.7.5.