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Package Details: python-cclib-git 1.8.2.r4861.21f75e95-1
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Git Clone URL: | https://aur.archlinux.org/python-cclib-git.git (read-only, click to copy) |
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Package Base: | python-cclib-git |
Description: | A library for parsing and interpreting the results of computational chemistry packages. (git version) |
Upstream URL: | http://cclib.github.io |
Licenses: | BSD-3-Clause |
Conflicts: | python-cclib |
Provides: | python-cclib |
Submitter: | berquist |
Maintainer: | berquist |
Last Packager: | berquist |
Votes: | 0 |
Popularity: | 0.000000 |
First Submitted: | 2015-06-17 15:13 (UTC) |
Last Updated: | 2024-06-23 20:12 (UTC) |
Dependencies (23)
- python-packaging
- python-periodictableAUR
- python-scipy (python-scipy-gitAUR, python-scipy-mklAUR, python-scipy-mkl-binAUR, python-scipy-mkl-tbbAUR)
- git (git-gitAUR, git-glAUR) (make)
- python-build (make)
- python-installer (make)
- python-setuptools (make)
- python-versioningit (make)
- python-wheel (make)
- psi4AUR (psi4-git-gccmklAUR, psi4AUR, psi4-gitAUR) (check)
- python-biopythonAUR (check)
- python-iodata (python-iodata-gitAUR) (check)
- python-pyquante2 (python-pyquante2-gitAUR) (check)
- python-pyscfAUR (python-pyscf-gitAUR, python-pyscfAUR) (check)
- python-pytest (check)
- 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 (python-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
Required by (3)
- avogadroapp (requires python-cclib)
- avogadrolibs-git (requires python-cclib)
- gausssum (requires python-cclib)
Latest Comments
malacology commented on 2024-03-23 06:37 (UTC)
it seems that this pkg needs python-versioningit in lower version