Downloads:

5,373

Downloads of v 1.3.0.6408:

67

Last Update:

18 Oct 2021

Package Maintainer(s):

Software Author(s):

  • Oleg Dolomanov
  • Horst Puschmann

Tags:

olex2 crystallography chemistry

Olex²

  • 1
  • 2
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1.3.0.6408 | Updated: 18 Oct 2021

Downloads:

5,373

Downloads of v 1.3.0.6408:

67

Maintainer(s):

Software Author(s):

  • Oleg Dolomanov
  • Horst Puschmann

  • 1
  • 2
  • 3
Olex² 1.3.0.6408

  • 1
  • 2
  • 3

All Checks are Passing

3 Passing Tests


Validation Testing Passed


Verification Testing Passed

Details

Scan Testing Successful:

No detections found in any package files

Details
Learn More

Deployment Method: Individual Install, Upgrade, & Uninstall

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:

>

Deployment Method:

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

1. Enter Your Internal Repository Url

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


2. Setup Your Environment

1. Ensure you are set for organizational deployment

Please see the organizational deployment guide

2. Get the package into your environment

  • 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://community.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. Copy Your Script

choco upgrade olex2 -y --source="'INTERNAL REPO 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="'INTERNAL REPO URL'" 
$exitCode = $LASTEXITCODE

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

Exit $exitCode

- name: Install olex2
  win_chocolatey:
    name: olex2
    version: '1.3.0.6408'
    source: INTERNAL REPO URL
    state: present

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


chocolatey_package 'olex2' do
  action    :install
  source   'INTERNAL REPO URL'
  version  '1.3.0.6408'
end

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


cChocoPackageInstaller olex2
{
    Name     = "olex2"
    Version  = "1.3.0.6408"
    Source   = "INTERNAL REPO URL"
}

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


package { 'olex2':
  ensure   => '1.3.0.6408',
  provider => 'chocolatey',
  source   => 'INTERNAL REPO URL',
}

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


4. If applicable - Chocolatey configuration/installation

See infrastructure management matrix for Chocolatey configuration elements and examples.

This package was approved as a trusted package on 18 Oct 2021.

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

Install Options

By default, this package deposits Olex² in C:\ProgramData\ and will not install a desktop icon.

  • /Icon - Installs the desktop icon.
  • /INSTALLDIR: - Deposits Olex² to a directory you specify

Example usage: choco install olex2 -params '"/INSTALLDIR:""c:\Program Files"""'
(note: the double-double quotes around the path are only needed if it contains spaces)


tools\chocolateyinstall.ps1
$ErrorActionPreference = 'Stop'

$url32       = 'http://www.olex2.org/olex2-distro/1.3/olex2-win32.zip'
$url64       = 'http://www.olex2.org/olex2-distro/1.3/olex2-win64.zip'
$checkSum32  = 'cf96c4ec7d2b3a837526a6ce30a186c84260e9cd3f671b23c2303e449b642101'
$checkSum64  = 'f393ca5472f6d71e1a540d854ada6ce4d3f242545762a1e3e15bf830925003d5'

$DisplayedVersion = $env:ChocolateyPackageVersion.split('.')[0-1] -join '.'

$pp = Get-PackageParameters
if ($pp['INSTALLDIR']) { 
   Write-Host 'You have opted to install to an alternate location.' -ForegroundColor Cyan
   if (Test-Path $pp['INSTALLDIR']) {
      $InstallDir = Join-Path $pp['INSTALLDIR'] "$env:ChocolateyPackageName-$DisplayedVersion"
   } else { Throw "Path '$($pp['INSTALLDIR'])' does not exist!" }
} else {
   $InstallDir = Join-Path $env:ProgramData "$env:ChocolateyPackageName-$DisplayedVersion"
}

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

$ShortcutName = "Olex2-$DisplayedVersion.lnk"
$targetPath = (Get-ChildItem $InstallDir -filter "$env:ChocolateyPackageName.exe").fullname
$DeskShortcut = Join-Path "$env:PUBLIC\Desktop" $ShortcutName
$StartShortcut = Join-Path $env:ProgramData "Microsoft\Windows\Start Menu\Programs\$ShortcutName"

Install-ChocolateyShortcut -ShortcutFilePath $StartShortcut -TargetPath $targetPath

if ($pp['Icon']) { 
   Write-Host 'You have opted for the Desktop Icon.' -ForegroundColor Cyan
   Install-ChocolateyShortcut -ShortcutFilePath $DeskShortcut -TargetPath $targetPath
}
tools\chocolateyUninstall.ps1
$ErrorActionPreference = 'Stop'

$DisplayedVersion = $env:ChocolateyPackageVersion.split('.')[0-1] -join '.'

$UnzipLog = Get-ChildItem $env:ChocolateyPackageFolder -Filter "*.zip.txt" |
                  Sort-Object creationtime | Select-Object -last 1
If ($UnzipLog) {
   $InstallDir = Get-Content $UnzipLog.FullName | Select-Object -First 1
} else {
   $InstallDir = Join-Path $env:ProgramData "$env:ChocolateyPackageName-$DisplayedVersion"
}

$ShortcutName = "Olex2-$DisplayedVersion.lnk"
$DeskShortcut = Join-Path "$env:PUBLIC\Desktop" $ShortcutName
$StartShortcut = Join-Path $env:ProgramData "Microsoft\Windows\Start Menu\Programs\$ShortcutName"

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
}

Log in or click on link to see number of positives.

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.

Add to Builder Version Downloads Last Updated Status
Olex² 1.3.0.6272 115 Sunday, March 7, 2021 Approved
Olex² 1.3.0.6257 58 Sunday, February 14, 2021 Approved
Olex² 1.3.0.6226 90 Saturday, December 12, 2020 Approved
Olex² 1.3.0.6145 149 Saturday, August 1, 2020 Approved
Olex² 1.3.0.6032 218 Sunday, March 8, 2020 Approved
Olex² 1.3.0.6003 156 Friday, December 20, 2019 Approved
Olex² 1.3.0.5938 107 Friday, November 1, 2019 Approved
Olex² 1.2.10.5506 110 Tuesday, October 29, 2019 Approved
Olex² 1.2.8.5506 502 Saturday, June 2, 2018 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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