Package Details: python-pyscf 2.6.2-2

Git Clone URL: https://aur.archlinux.org/python-pyscf.git (read-only, click to copy)
Package Base: python-pyscf
Description: Python module for quantum chemistry
Upstream URL: https://github.com/pyscf/pyscf
Licenses: Apache-2.0
Conflicts: python-pyscf-git
Provides: python-pyscf
Submitter: dan.maftei
Maintainer: chillenb
Last Packager: chillenb
Votes: 3
Popularity: 0.030820
First Submitted: 2018-02-03 15:52 (UTC)
Last Updated: 2024-07-11 06:09 (UTC)

Latest Comments

Tenshi65535 commented on 2023-01-10 08:30 (UTC)

Greetings to all.

As libcint, libxc and xcfun are all listed as dipendencies, it might not be necessary to build it again in this package. Would you consider to set BUILD_LIBXC, BUILD_XCFUN and BUILD_LIBCINT to 'off'?

Also, will BUILD_MARCH_NATIVE improve the performance?

Guide for reference: https://pyscf.org/install.html#cmake-options-and-compiling-flags

a.kudelin commented on 2021-05-02 20:09 (UTC)

Please update to the new version: https://pastebin.com/t7CSyQjv

katherlee commented on 2018-07-10 21:52 (UTC)

Here is an PKGBUILD for version 1.5.1: https://gist.github.com/katherlee/2a958be07b9606af77bd97badf5c6884

katherlee commented on 2018-04-05 21:35 (UTC)

Thanks for packaging! Just an FYI, The latest release is now 1.4.5.