Downloads:

2,863

Downloads of v 1.2.8.5497:

113

Last Update:

5/28/2018

Package Maintainer(s):

Software Author(s):

  • Oleg Dolomanov
  • Horst Puschmann

Tags:

olex2 crystallography chemistry

Olex²

This is not the latest version of Olex² available.

1.2.8.5497 | Updated: 5/28/2018

Downloads:

2,863

Downloads of v 1.2.8.5497:

113

Maintainer(s):

Software Author(s):

  • Oleg Dolomanov
  • Horst Puschmann

Olex² 1.2.8.5497

This is not the latest version of Olex² available.

All Checks are Passing

2 Passing Test


Validation Testing Passed


Verification Testing Passed

Details

To install Olex², run the following command from the command line or from PowerShell:

>

To upgrade Olex², run the following command from the command line or from PowerShell:

>

To uninstall Olex², run the following command from the command line or from PowerShell:

>

NOTE: This applies to both open source and commercial editions of Chocolatey.

1. Ensure you are set for organizational deployment

Please see the organizational deployment guide

  • Open Source or Commercial:
    • Proxy Repository - Create a proxy nuget repository on Nexus, Artifactory Pro, or a proxy Chocolatey repository on ProGet. Point your upstream to https://chocolatey.org/api/v2. Packages cache on first access automatically. Make sure your choco clients are using your proxy repository as a source and NOT the default community repository. See source command for more information.
    • You can also just download the package and push it to a repository Download

3. Enter your internal repository url

(this should look similar to https://chocolatey.org/api/v2)

4. Choose your deployment method:


choco upgrade olex2 -y --source="'STEP 3 URL'" [other options]

See options you can pass to upgrade.

See best practices for scripting.

Add this to a PowerShell script or use a Batch script with tools and in places where you are calling directly to Chocolatey. If you are integrating, keep in mind enhanced exit codes.

If you do use a PowerShell script, use the following to ensure bad exit codes are shown as failures:


choco upgrade olex2 -y --source="'STEP 3 URL'" 
$exitCode = $LASTEXITCODE

Write-Verbose "Exit code was $exitCode"
$validExitCodes = @(0, 1605, 1614, 1641, 3010)
if ($validExitCodes -contains $exitCode) {
  Exit 0
}

Exit $exitCode

- name: Ensure olex2 installed
  win_chocolatey:
    name: olex2
    state: present
    version: 1.2.8.5497
    source: STEP 3 URL

See docs at https://docs.ansible.com/ansible/latest/modules/win_chocolatey_module.html.

Coming early 2020! Central Managment Reporting available now! More information...


chocolatey_package 'olex2' do
  action    :install
  version  '1.2.8.5497'
  source   'STEP 3 URL'
end

See docs at https://docs.chef.io/resource_chocolatey_package.html.


Chocolatey::Ensure-Package
(
    Name: olex2,
    Version: 1.2.8.5497,
    Source: STEP 3 URL
);

Requires Otter Chocolatey Extension. See docs at https://inedo.com/den/otter/chocolatey.


cChocoPackageInstaller olex2
{
   Name     = 'olex2'
   Ensure   = 'Present'
   Version  = '1.2.8.5497'
   Source   = 'STEP 3 URL'
}

Requires cChoco DSC Resource. See docs at https://github.com/chocolatey/cChoco.


package { 'olex2':
  provider => 'chocolatey',
  ensure   => '1.2.8.5497',
  source   => 'STEP 3 URL',
}

Requires Puppet Chocolatey Provider module. See docs at https://forge.puppet.com/puppetlabs/chocolatey.


salt '*' chocolatey.install olex2 version="1.2.8.5497" source="STEP 3 URL"

See docs at https://docs.saltstack.com/en/latest/ref/modules/all/salt.modules.chocolatey.html.

5. If applicable - Chocolatey configuration/installation

See infrastructure management matrix for Chocolatey configuration elements and examples.

Private CDN cached downloads available for licensed customers. Never experience 404 breakages again! Learn more...

This package was approved as a trusted package on 5/28/2018.

Description

Olex² is a simple to use program containing numerous tools for the structure analysis and publication, including Fourier maps and voids calculation and visualisation, space group determination, calculation of esd's for almost any possible geometrical parameters, CIF translation to HTML and other documents, hydrogen atom placement and many others. The graphical user interface is the result of 10 years of striving to provide the best possible experience to modelling even the most challenging structures with ease. The software originated at Durham University and has been in active development since 2004.

Features

  • Stereo visualisation
  • Full history of the structure - from solution - to the refinement
  • Structure analysis - pi-pi and other interactions, easy s.u. (esd) on many geometrical parameters calculation
  • Own olex2.refine structure refinement module
  • Seamless integration with Shelxl - switch between Shelxl and olex2.refine in no time
  • Integration with Platon software - every knowledge Platon has is unlocked
  • Multi-platform Windows-Linux-Mac (thanks to wxWidgets)
  • Superflip GUI, ShelXT, Sir and other structure solution programs at the push of the button
  • Postscript and bitmap (jpg, png etc) output to high resolution
  • Advanced tools for disorder modelling using rigid body refinemet
  • Structure reports (and CIF) - by managing metadata are always up to date even after a new structure solution!
  • Electron density maps (and they are live for contour maps)
  • Numerous drawing styles, including a few of predefined
  • Customisable main Menu and the GUI toolbar
  • Embedded Python and macro binding to the command line or interface elements

tools\chocolateyinstall.ps1
$packageName = 'Olex2'
$version     = '1.2.8'
$url32       = 'http://www.olex2.org/olex2-distro/1.2/olex2-win32.zip'
$url64       = 'http://www.olex2.org/olex2-distro/1.2/olex2-win64.zip'
$checkSum32  = 'a32bb6a09313595d9be679e9e2806d9cfe890ab7c1930d78cde3af96246ea6ce'
$checkSum64  = '34afd7bd0d192d78f0a917ede4bc51f638eddc36ff50b1b256773fb902339062'

$InstallDir = Join-Path $env:ProgramData $packageName

$InstallArgs = @{
   PackageName   = $packageName
   Url           = $url32
   Url64         = $url64
   UnzipLocation = $InstallDir
   checkSum      = $checkSum32
   checkSum64    = $checkSum64
   checkSumType  = 'sha256'
}
Install-ChocolateyZipPackage @InstallArgs

$target   = Join-Path $InstallDir 'olex2.exe'
$DeskShortcut = Join-Path ([System.Environment]::GetFolderPath('Desktop')) 'Olex2-1.2.lnk'
$StartShortcut = Join-Path $env:ProgramData 'Microsoft\Windows\Start Menu\Programs\Olex2-1.2.lnk'

Install-ChocolateyShortcut -ShortcutFilePath $DeskShortcut -TargetPath $target
Install-ChocolateyShortcut -ShortcutFilePath $StartShortcut -TargetPath $target
tools\chocolateyUninstall.ps1
$packageName = 'Olex2'

$InstallDir = Join-Path $env:ProgramData $packageName

$DeskShortcut = Join-Path ([System.Environment]::GetFolderPath('Desktop')) 'Olex2-1.2.lnk'
$StartShortcut = Join-Path $env:ProgramData 'Microsoft\Windows\Start Menu\Programs\Olex2-1.2.lnk'

if ([System.IO.File]::Exists($DeskShortcut)) {
    Write-Debug "Found the desktop shortcut. Deleting it..."
    [System.IO.File]::Delete($DeskShortcut)
}

if ([System.IO.File]::Exists($StartShortcut)) {
    Write-Debug "Found the Start Menu shortcut. Deleting it..."
    [System.IO.File]::Delete($StartShortcut)
}

if (Test-Path $InstallDir) {
    Write-Debug "Found the Install Directory. Deleting it..."
      Remove-Item $InstallDir -Recurse -Force
}

In cases where actual malware is found, the packages are subject to removal. Software sometimes has false positives. Moderators do not necessarily validate the safety of the underlying software, only that a package retrieves software from the official distribution point and/or validate embedded software against official distribution point (where distribution rights allow redistribution).

Chocolatey Pro provides runtime protection from possible malware.

Version Downloads Last Updated Status
Olex² 1.2.10.5506 12 Tuesday, October 29, 2019 Approved
Olex² 1.2.8.5506 378 Saturday, June 2, 2018 Approved
Olex² 1.2.8.5497 113 Monday, May 28, 2018 Approved
Olex² 1.2.8.5492 126 Friday, May 11, 2018 Approved
Olex² 1.2.8.5488 176 Tuesday, April 24, 2018 Approved
Olex² 1.2.8.5486 140 Friday, April 13, 2018 Approved
Olex² 1.2.8.5381 256 Tuesday, September 19, 2017 Approved
Olex² 1.2.8.5370 234 Wednesday, August 2, 2017 Approved
Olex² 1.2.8.5337 234 Friday, June 2, 2017 Approved

Discussion for the Olex² Package

Ground Rules:

  • This discussion is only about Olex² and the Olex² package. If you have feedback for Chocolatey, please contact the Google Group.
  • This discussion will carry over multiple versions. If you have a comment about a particular version, please note that in your comments.
  • The maintainers of this Chocolatey Package will be notified about new comments that are posted to this Disqus thread, however, it is NOT a guarantee that you will get a response. If you do not hear back from the maintainers after posting a message below, please follow up by using the link on the left side of this page or follow this link to contact maintainers. If you still hear nothing back, please follow the package triage process.
  • Tell us what you love about the package or Olex², or tell us what needs improvement.
  • Share your experiences with the package, or extra configuration or gotchas that you've found.
  • If you use a url, the comment will be flagged for moderation until you've been whitelisted. Disqus moderated comments are approved on a weekly schedule if not sooner. It could take between 1-5 days for your comment to show up.
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