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Package Details: python-cclib 1.8-1

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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:	2023-11-17 19:23 (UTC)

Dependencies (12)

python-importlib-metadata
python-packaging
python-periodictable^AUR
python-scipy (python-scipy-mkl-bin^AUR, python-scipy-mkl^AUR, python-scipy-git^AUR)
python-setuptools (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 (optional) – for generating `BioPython.Atom`s of parsed results
python-h5py (python-h5py-git^AUR, python-h5py-openmpi) (optional) – for reading proatom densities from horton
python-openbabel (openbabel-git^AUR) (optional) – for generating `OBMol`s of results
python-pandas (optional) – for generating DataFrames of parsed results
python-pyscf^AUR (python-pyscf-git^AUR, python-pyscf^AUR) (optional) – for PySCF bridge

Required by (3)

Sources (1)

https://github.com/cclib/cclib/archive/v1.8.tar.gz

Latest Comments

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.