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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) |
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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-periodictableAUR
- python-scipy (python-scipy-mkl-binAUR, python-scipy-mklAUR, python-scipy-gitAUR)
- python-setuptools (make)
- psi4AUR (psi4-git-gccmklAUR, psi4AUR, psi4-gitAUR) (optional) – for Psi4 bridge
- python-aseAUR (optional) – for ASE bridge
- python-biopython (optional) – for generating `BioPython.Atom`s of parsed results
- python-h5py (python-h5py-gitAUR, python-h5py-openmpi) (optional) – for reading proatom densities from horton
- python-openbabel (openbabel-gitAUR) (optional) – for generating `OBMol`s of results
- python-pandas (optional) – for generating DataFrames of parsed results
- python-pyscfAUR (python-pyscf-gitAUR, python-pyscfAUR) (optional) – for PySCF bridge
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.