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Package Details: python-qcengine 0.51.0-1
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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: | https://molssi.github.io/QCEngine/ |
| Licenses: | BSD-3-Clause |
| Submitter: | berquist |
| Maintainer: | e-kwsm |
| Last Packager: | e-kwsm |
| Votes: | 1 |
| Popularity: | 0.000000 |
| First Submitted: | 2019-11-06 00:34 (UTC) |
| Last Updated: | 2026-08-19 19:49 (UTC) |
Dependencies (30)
- python
- python-numpy (python-numpy-gitAUR, python-numpy-mkl-binAUR, python-numpy1AUR, python-numpy-mkl-tbbAUR, python-numpy-mklAUR)
- python-psutil
- python-py-cpuinfo (python-py-cpuinfo2)
- python-pydantic
- python-pydantic-settings
- python-qcelementalAUR
- python-yaml (python-yaml-gitAUR)
- git (git-gitAUR, git-glAUR, git-wd40AUR) (make)
- python-build (make)
- python-installer (make)
- python-setuptools-scm (make)
- python-pydantic-settings (check)
- python-pytest (check)
- dftd3AUR (optional)
- dftd4AUR (dftd4-gitAUR) (optional)
- gamessAUR (optional)
- mopacAUR (mopacAUR) (optional)
- mrchemAUR (mrchemAUR) (optional)
- nwchemAUR (nwchem-gitAUR, nwchem-binAUR) (optional)
- Show 10 more dependencies...
Latest Comments
e-kwsm commented on 2025-05-18 03:14 (UTC)
http://docs.qcarchive.molssi.org/projects/QCEngine/en/stable/ is dead.
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