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Package Details: python-cclib 1.6.2-2
| 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: | |
| Submitter: | berquist |
| Maintainer: | berquist |
| Last Packager: | berquist |
| Votes: | 1 |
| Popularity: | 0.000160 |
| First Submitted: | 2015-06-17 15:10 |
| Last Updated: | 2020-02-12 03:41 |
Dependencies (8)
- python-numpy (python-numpy-mkl-bin, python-numpy-openblas, python-numpy-git, python-numpy-mkl)
- python-packaging
- python-periodictable
- python-setuptools (make)
- python-biopython (optional) – for generating `BioPython.Atom`s of parsed results
- python-openbabel (openbabel-git) (optional) – for generating `OBMol`s of results
- python-pandas (optional) – for generating DataFrames of parsed results
- python-scipy (python-scipy-mkl, python-scipy-mkl-bin) (optional) – for calculating properties of nuclear configurations
Latest Comments
a.kudelin commented on 2020-02-09 07:01
Please, increase release number of the package to rebuild.
schaerfo commented on 2019-06-28 09:36
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.