packmol-20.14.2-1.ocs23 | Build Info

Information for build packmol-20.14.2-1.ocs23

8575

Package Name

packmol

Version

20.14.2

Release

1.ocs23

Epoch

Source

git+https://gitee.com/opencloudos-stream/packmol.git?.#dd26fb6c3e7261542f5cb0fde1f28dfee1401e39

Summary

Packing optimization for molecular dynamics simulations

Description

Packmol creates an initial point for molecular dynamics simulations by packing molecules in defined regions of space. The packing guarantees that short range repulsive interactions do not disrupt the simulations. The great variety of types of spatial constraints that can be attributed to the molecules, or atoms within the molecules, makes it easy to create ordered systems, such as lamellar, spherical or tubular lipid layers. The user must provide only the coordinates of one molecule of each type, the number of molecules of each type and the spatial constraints that each type of molecule must satisfy. The package is compatible with input files of PDB, TINKER, XYZ and MOLDY formats.

Built by

fanjunkong

State

complete

Volume

DEFAULT

Started

Wed, 08 May 2024 22:33:26 CST

Completed

Wed, 08 May 2024 22:35:17 CST

Task

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

Extra

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

Tags

dist-ocs23

dist-ocs23-epol9

epol9-test-compose

RPMs

src
	packmol-20.14.2-1.ocs23.src.rpm (info) (download)
aarch64
	packmol-20.14.2-1.ocs23.aarch64.rpm (info) (download)
	packmol-debuginfo-20.14.2-1.ocs23.aarch64.rpm (info) (download)
	packmol-debugsource-20.14.2-1.ocs23.aarch64.rpm (info) (download)
x86_64
	packmol-20.14.2-1.ocs23.x86_64.rpm (info) (download)
	packmol-debuginfo-20.14.2-1.ocs23.x86_64.rpm (info) (download)
	packmol-debugsource-20.14.2-1.ocs23.x86_64.rpm (info) (download)

Logs

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

Changelog

* Fri Apr 12 2024 OpenCloudOS Release Engineering <releng@opencloudos.tech> - 20.14.2-1 - initial build

Main Site Links:

Information for build packmol-20.14.2-1.ocs23