nwchem-7.2.2-1.ocs23 | Build Info

Information for build nwchem-7.2.2-1.ocs23

13760

Package Name

nwchem

Version

7.2.2

Release

1.ocs23

Epoch

Source

git+https://gitee.com/opencloudos-stream/nwchem.git?.#83a756c90d297fc0d0a54c8489b826b511b1b75c

Summary

Delivering High-Performance Computational Chemistry to Science

Description

NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters. Please cite the following reference when publishing results obtained with NWChem: M. Valiev, E.J. Bylaska, N. Govind, K. Kowalski, T.P. Straatsma, H.J.J. van Dam, D. Wang, J. Nieplocha, E. Apra, T.L. Windus, W.A. de Jong, "NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations" Comput. Phys. Commun. 181, 1477 (2010) There is currently no serial version built.

Built by

bbrucezhang

State

complete

Volume

DEFAULT

Started

Tue, 23 Jul 2024 03:49:28 CST

Completed

Tue, 23 Jul 2024 13:09:46 CST

Task

build (dist-ocs23-epol9, /opencloudos-stream/nwchem.git:.:origin/master)

Extra

{'source': {'original_url': 'git+https://gitee.com/opencloudos-stream/nwchem.git?.#origin/master'}}

Tags

dist-ocs23

dist-ocs23-epol9

epol9-test-compose

RPMs

src
	nwchem-7.2.2-1.ocs23.src.rpm (info) (download)
aarch64
	nwchem-7.2.2-1.ocs23.aarch64.rpm (info) (download)
	nwchem-mpich-7.2.2-1.ocs23.aarch64.rpm (info) (download)
	nwchem-openmpi-7.2.2-1.ocs23.aarch64.rpm (info) (download)
	nwchem-debugsource-7.2.2-1.ocs23.aarch64.rpm (info) (download)
	nwchem-mpich-debuginfo-7.2.2-1.ocs23.aarch64.rpm (info) (download)
	nwchem-openmpi-debuginfo-7.2.2-1.ocs23.aarch64.rpm (info) (download)
noarch
	nwchem-common-7.2.2-1.ocs23.noarch.rpm (info) (download)
x86_64
	nwchem-7.2.2-1.ocs23.x86_64.rpm (info) (download)
	nwchem-mpich-7.2.2-1.ocs23.x86_64.rpm (info) (download)
	nwchem-openmpi-7.2.2-1.ocs23.x86_64.rpm (info) (download)
	nwchem-debugsource-7.2.2-1.ocs23.x86_64.rpm (info) (download)
	nwchem-mpich-debuginfo-7.2.2-1.ocs23.x86_64.rpm (info) (download)
	nwchem-openmpi-debuginfo-7.2.2-1.ocs23.x86_64.rpm (info) (download)

Logs

x86_64
	installed_pkgs.log
	build.log
	state.log
	hw_info.log
	root.log
	mock_output.log
	noarch_rpmdiff.json
aarch64
	root.log
	state.log
	installed_pkgs.log
	hw_info.log
	build.log
	mock_output.log
	noarch_rpmdiff.json

Changelog

* Mon Jul 01 2024 OpenCloudOS Release Engineering <releng@opencloudos.tech> - 7.2.2-1 - initial build

Main Site Links:

Information for build nwchem-7.2.2-1.ocs23