Thu, 12 Dec 2024 12:29:45 UTC | login

Information for build python-pyscf-1.7.6-1.fc33

ID193860
Package Namepython-pyscf
Version1.7.6
Release1.fc33
Epoch
Sourcegit+https://src.fedoraproject.org/rpms/python-pyscf.git#ad79502698d2169e946fe64cc5b80ff5ad652355
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 complete
Volume DEFAULT
StartedThu, 08 Apr 2021 15:09:27 UTC
CompletedThu, 08 Apr 2021 16:23:29 UTC
Taskbuild (f33, /rpms/python-pyscf.git:ad79502698d2169e946fe64cc5b80ff5ad652355)
Extra{'source': {'original_url': 'git+https://src.fedoraproject.org/rpms/python-pyscf.git#ad79502698d2169e946fe64cc5b80ff5ad652355'}}
Tags
f33
f37
f38
RPMs
src
python-pyscf-1.7.6-1.fc33.src.rpm (info) (download)
riscv64
python3-pyscf-1.7.6-1.fc33.riscv64.rpm (info) (download)
python-pyscf-debugsource-1.7.6-1.fc33.riscv64.rpm (info) (download)
python3-pyscf-debuginfo-1.7.6-1.fc33.riscv64.rpm (info) (download)
Logs
riscv64
build.log
hw_info.log
mock_output.log
root.log
state.log
Changelog * 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. * Sun Aug 16 2020 Iñaki Úcar <iucar@fedoraproject.org> - 1.7.4-2 - https://fedoraproject.org/wiki/Changes/FlexiBLAS_as_BLAS/LAPACK_manager * Mon Aug 03 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.7.4-1 - Adapt to updated CMake scripts. - Update to 1.7.4. * Sat Aug 01 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.7.3-3 - Second attempt - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Wed Jul 29 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.7.3-2 - Rebuilt for https://fedoraproject.org/wiki/Fedora_33_Mass_Rebuild * Thu Jun 11 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.7.3-1 - Update to 1.7.3. * Tue May 26 2020 Miro Hrončok <mhroncok@redhat.com> - 1.7.2-2 - Rebuilt for Python 3.9 * Thu May 14 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.7.2-1 - Update to 1.7.2. * Mon Apr 20 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.7.1-2 - Patch for libxc 5. * Tue Mar 24 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.7.1-1 - Update to 1.7.1. * Sun Feb 02 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.7.0-6 - Build against libopenblaso not libopenblas as the latter yields incorrect results. * Thu Jan 30 2020 Fedora Release Engineering <releng@fedoraproject.org> - 1.7.0-5 - Rebuilt for https://fedoraproject.org/wiki/Fedora_32_Mass_Rebuild * Thu Jan 23 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.7.0-4 - Switch buildrequire to libcint and disable build on ppc64. * Thu Jan 23 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.7.0-3 - Filter provides and requires. * Wed Jan 22 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.7.0-2 - Remove shebangs and rpath. * Tue Jan 07 2020 Susi Lehtola <jussilehtola@fedoraproject.org> - 1.7.0-1 - First release.