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Downloads of v 2014.1:


Last Update:

10 May 2016

Package Maintainer(s):

Software Author(s):

  • Louis J. Farrugia


ortep3 ortep chemistry crystallography admin


  • 1
  • 2
  • 3

2014.1 | Updated: 10 May 2016



Downloads of v 2014.1:



Software Author(s):

  • Louis J. Farrugia

Ortep3 2014.1

  • 1
  • 2
  • 3

Some Checks Have Failed or Are Not Yet Complete

Not All Tests Have Passed

Validation Testing Passed

Verification Testing Passed


Scan Testing Resulted in Investigate

Learn More

Deployment Method: Individual Install, Upgrade, & Uninstall

To install Ortep3, run the following command from the command line or from PowerShell:


To upgrade Ortep3, run the following command from the command line or from PowerShell:


To uninstall Ortep3, run the following command from the command line or from PowerShell:


Deployment Method:


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 ortep3 -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 ortep3 -y --source="'INTERNAL REPO URL'" 

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

Exit $exitCode

- name: Install ortep3
    name: ortep3
    version: '2014.1'
    state: present

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

chocolatey_package 'ortep3' do
  action    :install
  source   'INTERNAL REPO URL'
  version  '2014.1'

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

cChocoPackageInstaller ortep3
    Name     = "ortep3"
    Version  = "2014.1"
    Source   = "INTERNAL REPO URL"

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

package { 'ortep3':
  ensure   => '2014.1',
  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.

Package Approved

This package was approved by moderator dtgm on 11 May 2016.


Ortep-3 for Windows is a MS-Windows version of the current release of ORTEP-III (1.0.3), which incorporates a Graphical User Interface (GUI) to make production of thermal ellipsoid plots much easier.


Ortep-3 for Windows is provided free of charge for academic, scientific, educational and non-commercial users, provided its use is acknowledged. A license is required and may be requested. If you do not yet have a license file, this package will still install, but Ortep3 will not start.

Helper programs

Ortep can call other programs. These are not dependencies. This package will pre-set for Ortep-3 the paths for these programs. It will use the default install paths for the following applications (whether they are installed or not), but the paths (and programs) can be changed with parameters (see below):

Package Parameters

The following package parameters can be set:

  • /installDir:<path>

    The default location for Ortep3 is C:\Ortep3. This package by default will install to a more standard, "%ProgramFiles(x86)%\Ortep3", but the directory can be customized.

  • /LicensePath:<path>

    If you have a license file, "ORTEP3-License.txt", you can place it in "C:\Temp" (default) and this package will copy it to the proper location. Adjust the location with this parameter. The path can be a file path or URL.

  • /editor:<path> - Assign a text editor helper program other than Notepad.

  • /povray:<path> - Assign an alternate path for POV-ray.

  • /gsview:<path> - Assign an alternate path for GhostScript View or another PS file viewer.

  • /graphics:<path> - Assign a graphics viewer helper program other than IrfanView (for example, XnView).

  • /hpgl:<path> - Assign an alternate path for HP-GL View or another HP-GL file viewer.

These parameters can be passed to the installer with the use of -params.
For example :
-params '"/LicensePath:http://localsite.org/ortep3license.txt /editor:""C:\Program Files (x86)\Notepad++\notepad++.exe"""'.
(note: the double-double quotes around the path are only needed if it contains spaces)


Ortep-3 for Windows has the following facilities and features.

$ErrorActionPreference = 'Stop'  # stop on all errors

$packageName  = 'ortep3'
$toolsDir     = Split-Path -parent $MyInvocation.MyCommand.Definition
$DownloadUrl  = 'http://www.chem.gla.ac.uk/~louis/software/downloads/ortep_2014.1.zip'
$tempDir = Join-Path $env:TEMP $packageName
if (![System.IO.Directory]::Exists($tempDir)) {
$ZipPath = Join-Path $tempDir $DownloadURL.split('/')[-1]
# Download zip
Get-ChocolateyWebFile $packageName $ZipPath $DownloadURL
# Extract zip
Get-ChocolateyUnzip $ZipPath $tempDir

$InstallArgs = @{
   packageName   = $packageName
   fileType      = 'exe'
   validExitCodes= @(0)
   url = (Join-Path $tempDir 'setup.exe')

$UserArguments = @{}
# Parse the packageParameters using good old regular expression
if ($env:chocolateyPackageParameters) {
    $match_pattern = "\/(?<option>([a-zA-Z]+)):(?<value>([`"'])?([a-zA-Z0-9- _\\:\.]+)([`"'])?)|\/(?<option>([a-zA-Z]+))"
    $option_name = 'option'
    $value_name = 'value'
    if ($env:chocolateyPackageParameters -match $match_pattern ){
        $results = $env:chocolateyPackageParameters | Select-String $match_pattern -AllMatches
        $results.matches | % {
        Throw 'Package Parameters were found but were invalid (REGEX Failure)'
} else {
    Write-Debug 'No Package Parameters Passed in'

if ($UserArguments.ContainsKey('InstallDir')) {
   Write-Host 'You requested a custom install directory.'
   $InstallDir = $UserArguments.InstallDir
} else {
   $InstallDir = Join-Path ${env:ProgramFiles(x86)} 'Ortep3'
$InstallArgs.silentArgs += ' /DIR="' + $InstallDir + '"'

# Execute installer
Install-ChocolateyPackage @InstallArgs

# Create a settings/license file home
$settingsPath = Join-Path $env:ProgramData 'Ortep3'
if (-not (test-path $settingsPath)) {
   New-Item $settingsPath -ItemType Directory
if (Test-Path $settingsPath) {
   Remove-Item "$settingsPath\*" -Recurse
   $Acl = get-acl $settingsPath
   $InheritanceFlag = [System.Security.AccessControl.InheritanceFlags]::ContainerInherit -bor [System.Security.AccessControl.InheritanceFlags]::ObjectInherit
   $PropagationFlag = [System.Security.AccessControl.PropagationFlags]::InheritOnly
   $rule = New-Object  system.security.accesscontrol.filesystemaccessrule('Authenticated Users','Modify',$InheritanceFlag,$PropagationFlag,'Allow')
   set-acl $settingsPath $Acl

   # Create environment variable pointing to the license/ini file locations
   Install-ChocolateyEnvironmentVariable 'ORTEP3DIR' $settingsPath 'Machine'

   # Look for a license file
   if ($UserArguments.ContainsKey('LicensePath')) {
      Write-Host 'You provided a license file path.'
      $LicensePath = $UserArguments.LicensePath
   } else {
      $LicensePath = 'C:\Temp\ORTEP3-License.txt'
   $LicenseArgs = @{
      packageName  = 'Ortep3License'
      fileFullPath = (Join-Path $settingsPath 'ORTEP3-License.txt')
      url          = ([System.Uri]$LicensePath).AbsoluteUri
   if (([System.Uri]$LicensePath).Scheme -eq 'file' -and 
       (-not (Test-Path ([System.Uri]$LicensePath).LocalPath))) {
         $msg = "***No license found at $LicensePath.***`n" + 
               "***You will need to manually copy an 'ORTEP3-License.txt' file to the " + 
               "'$settingsPath' directory.***`n"
         Write-host $msg
   } else {
      Get-ChocolateyWebFile @LicenseArgs

   # Create an .ini file with default paths to helper applications
   $iniPath = Join-Path $settingsPath 'ortep.ini'
   $iniString = @"
   #  System file for :
   #  Ortep-3 for Windows Version 2014.1 (2014)
   #  Locations of plugin executables

   if ($UserArguments.ContainsKey('editor')) {
      Write-Host 'You provided a TXT editor path.'
      $iniString += "`nEditorExecutable=" + $UserArguments['editor']
   } else {
      $iniString += "`nEditorExecutable=c:\Windows\system32\notepad.exe"
   if ($UserArguments.ContainsKey('povray')) {
      Write-Host 'You provided a POVray path.'
      $iniString += "`nPOVRayExecutable=" + $UserArguments['povray']
   } else {
      $iniString += "`nPOVRayExecutable=C:\Program Files\POV-Ray\v3.7\bin\pvengine64.exe"
   if ($UserArguments.ContainsKey('gsview')) {
      Write-Host 'You provided a GSView path.'
      $iniString += "`nPostScriptExecutable=" + $UserArguments['gsview']
   } else {
      $iniString += "`nPostScriptExecutable=C:\Program Files\Ghostgum\gsview\gsview64.exe"
   if ($UserArguments.ContainsKey('graphics')) {
      Write-Host 'You provided a Graphics path.'
      $iniString += "`nGraphicsExecutable=" + $UserArguments['graphics']
   } else {
      $iniString += "`nGraphicsExecutable=c:\Program Files\irfanview\i_view32.exe"
   if ($UserArguments.ContainsKey('hpgl')) {
      Write-Host 'You provided a HPGL path.'
      $iniString += "`nHPGLExecutable=" + $UserArguments['hpgl']
   } else {
      $iniString += "`nHPGLExecutable=c:\Program Files\printgl\printglw.exe"

   if (Test-Path $iniPath) {
      Write-Host 'Prior settings file found.  Will not overwrite helper program paths.'
   } else {
      Write-Host 'Establishing helper applications paths.'
      $iniString -replace "`n","`r`n" > $iniPath

} else {
   throw 'Settings folder does not exist!'

# Execute installer
Install-ChocolateyPackage @InstallArgs
$RegistryLocation = 'HKLM:\Software\Microsoft\Windows\CurrentVersion\Uninstall'

# different key for 32-bit installs on 64-bit systems
$BitLevel = Get-ProcessorBits
If ($BitLevel -eq '64') {
   $RegistryLocation = 'HKLM:\Software\Wow6432Node\Microsoft\Windows\CurrentVersion\Uninstall'

$unexe = (Get-ItemProperty "$RegistryLocation\*" | 
                     Where-Object { $_.displayname -match 'ortep'} |
                     Select-Object -ExpandProperty UninstallString).trim('"')

if (test-path $unexe) {
   $UninstallArgs = @{
      packageName = 'ortep3'
      fileType = 'exe'
      file = $unexe
      validExitCodes = @(0)

   Uninstall-ChocolateyPackage @UninstallArgs
   Remove-Item (Split-Path $unexe) -Recurse -Force
} else { Write-Host "no uninstaller found!"}

# remove the environment variable
Install-ChocolateyEnvironmentVariable 'ORTEP3DIR' $null 'Machine'

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This package has no dependencies.

Discussion for the Ortep3 Package

Ground Rules:

  • This discussion is only about Ortep3 and the Ortep3 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 Ortep3, or tell us what needs improvement.
  • Share your experiences with the package, or extra configuration or gotchas that you've found.
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