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Package Details: python-cclib 1.8.1-3

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Git Clone URL:	https://aur.archlinux.org/python-cclib.git (read-only, click to copy)
Package Base:	python-cclib
Description:	A library for parsing and interpreting the results of computational chemistry packages.
Upstream URL:	http://cclib.github.io
Licenses:	BSD-3-Clause
Submitter:	berquist
Maintainer:	berquist
Last Packager:	berquist
Votes:	1
Popularity:	0.000000
First Submitted:	2015-06-17 15:10 (UTC)
Last Updated:	2025-04-12 14:25 (UTC)

Dependencies (16)

python-packaging
python-periodictable^AUR
python-scipy (python-scipy-git^AUR, python-scipy-mkl-bin^AUR, python-scipy-mkl-tbb^AUR, python-scipy-mkl^AUR)
python-build (make)
python-installer (make)
python-setuptools (make)
python-versioningit (make)
python-wheel (make)
psi4^AUR (psi4-git-gccmkl^AUR, psi4^AUR, psi4-git^AUR) (optional) – for Psi4 bridge
python-ase^AUR (optional) – for ASE bridge
python-biopython^AUR (optional) – for generating `BioPython.Atom`s of parsed results
python-iodata (python-iodata-git^AUR) (optional) – for reading proatom densities from horton
python-openbabel (python-openbabel-git^AUR) (optional) – for generating `OBMol`s of results
python-pandas (optional) – for generating DataFrames of parsed results
python-pyquante2 (python-pyquante2-git^AUR) (optional) – for computing grid-based quantities with cube output
python-pyscf^AUR (python-pyscf-git^AUR, python-pyscf^AUR) (optional) – for PySCF bridge

Required by (3)

Sources (1)

https://github.com/cclib/cclib/releases/download/v1.8.1/cclib-1.8.1.tar.gz

Latest Comments

berquist commented on 2024-12-21 14:19 (UTC)

Regarding the out-of-date flag stating that 2.0a1 is out, I won't be updating this to any of the 2.0 alphas, which are fundamentally broken packages and do not work.

a.kudelin commented on 2020-02-09 07:01 (UTC)

Please, increase release number of the package to rebuild.

schaerfo commented on 2019-06-28 09:36 (UTC)

Hello, I just tried to build this package, but it failed because I did not have python2-setuptools installed. Therefore I would like to suggest adding this package to the (make ?) dependencies.