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Package Details: python-qcengine 0.29.0-1
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| Git Clone URL: | https://aur.archlinux.org/python-qcengine.git (read-only, click to copy) |
|---|---|
| Package Base: | python-qcengine |
| Description: | Quantum chemistry program executor and IO standardizer (QCSchema) for quantum chemistry |
| Upstream URL: | http://docs.qcarchive.molssi.org/projects/QCEngine/en/stable/ |
| Licenses: | MIT |
| Submitter: | berquist |
| Maintainer: | berquist |
| Last Packager: | berquist |
| Votes: | 1 |
| Popularity: | 0.000086 |
| First Submitted: | 2019-11-06 00:34 (UTC) |
| Last Updated: | 2024-02-24 20:28 (UTC) |
Dependencies (16)
- python-psutil
- python-py-cpuinfo
- python-qcelementalAUR
- python-setuptools (make)
- python-msgpack (check)
- python-pytest (python-pytest7) (check)
- dftd3AUR (optional)
- dftd4AUR (dftd4-gitAUR) (optional)
- gamessAUR (optional)
- mopacAUR (mopacAUR) (optional)
- mrchemAUR (mrchemAUR) (optional)
- nwchemAUR (nwchem-gitAUR, nwchem-binAUR) (optional)
- openmmAUR (optional)
- psi4AUR (psi4-git-gccmklAUR, psi4AUR, psi4-gitAUR) (optional)
- rdkitAUR (rdkit-python2AUR, rdkit-inchiAUR, rdkit-gitAUR, rdkitAUR) (optional)
- xtb (xtb-gitAUR) (optional)
Latest Comments
MaxPD commented on 2023-01-10 12:26 (UTC)
The SHA256sum of the current version is not correct, it should be: 0659fc6e92d0b8bd2252e4d0290543fdbf6fd5361943b4a43d429fe3074ab2dc
Tenshi65535 commented on 2022-12-15 10:55 (UTC)
Hello berquist, would you like to update this package to v0.26.0?
Here is the url: https://github.com/MolSSI/QCEngine/archive/v0.26.0.tar.gz