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Package Details: python-qcengine 0.30.0-2

Package Actions

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:	0.000000
First Submitted:	2019-11-06 00:34 (UTC)
Last Updated:	2024-11-26 14:52 (UTC)

Dependencies (18)

python-psutil
python-py-cpuinfo
python-qcelemental^AUR
python-setuptools (make)
python-msgpack (check)
python-pytest (check)
dftd3^AUR (optional)
dftd4^AUR (dftd4-git^AUR) (optional)
gamess^AUR (optional)
mopac^AUR (mopac^AUR) (optional)
mrchem^AUR (mrchem^AUR) (optional)
nwchem^AUR (nwchem-git^AUR, nwchem-bin^AUR) (optional)
openmm^AUR (optional)
psi4^AUR (psi4-git-gccmkl^AUR, psi4^AUR, psi4-git^AUR) (optional)
python-optking^AUR (optional)
python-pyberny^AUR (optional)
rdkit (optional)
xtb (xtb-git^AUR) (optional)

Required by (3)

Sources (1)

https://github.com/MolSSI/QCEngine/archive/v0.30.0.tar.gz

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