Package Details: python-pyscf-git 1.7.6a1.r104.g09eca1f68-1

Git Clone URL: (read-only, click to copy)
Package Base: python-pyscf-git
Description: Python-based Simulations of Chemistry Framework
Upstream URL:
Licenses: BSD
Conflicts: python-pyscf
Provides: python-pyscf
Submitter: katherlee
Maintainer: shivupa
Last Packager: katherlee
Votes: 1
Popularity: 0.000000
First Submitted: 2018-04-05 21:22 (UTC)
Last Updated: 2021-02-18 20:18 (UTC)

Required by (3)

Sources (1)

Latest Comments

shivupa commented on 2021-02-18 23:35 (UTC)

Also yes, I'd be happy to co-maintain it

shivupa commented on 2021-02-18 20:53 (UTC)

Thanks very much! This works for me too.

katherlee commented on 2021-02-18 20:37 (UTC)

@shivupa: Would you like to co-maintain the package? I am no longer actively using PySCF, and it'll be great if you could help.

katherlee commented on 2021-02-18 20:20 (UTC)

Hi @shivupa, thanks for the comments! The libxc3 and xcfun-pyscf packages exist due to historic reasons when PySCF was depending on older versions of the libraries. I checked with the latest PySCF version and it seems to work with latest versions of the libraries too. I've changed the dependency and things seem to work fine. Thanks for pointing that out!

shivupa commented on 2021-02-16 01:16 (UTC)

Hi I think this has incorrect dependencies. This depends on libxc and xcfun. libxc3 and xcfun-pyscf should provide each of those respectively. These specificity of this package makes it impossible to install other packages that provide each of those. Let me know what you think!