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Package Details: python-cclib 1.8.1-1
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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: | 2024-06-23 20:11 (UTC) |
Dependencies (16)
- python-packaging
- python-periodictableAUR
- python-scipy (python-scipy-gitAUR, python-scipy-mklAUR, python-scipy-mkl-tbbAUR, python-scipy-mkl-binAUR)
- python-build (make)
- python-installer (python-installer-gitAUR) (make)
- python-setuptools (make)
- python-versioningit (make)
- python-wheel (make)
- psi4AUR (psi4-git-gccmklAUR, psi4AUR, psi4-gitAUR) (optional) – for Psi4 bridge
- python-aseAUR (optional) – for ASE bridge
- python-biopythonAUR (optional) – for generating `BioPython.Atom`s of parsed results
- python-iodata (python-iodata-gitAUR) (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-pyquante2 (python-pyquante2-gitAUR) (optional) – for computing grid-based quantities with cube output
- 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.