Downloads:

2,008

Downloads of v 1.2.0:

396

Last Update:

8/7/2016

Package Maintainer(s):

Software Author(s):

  • Marcus D Hanwell
  • Tim Vandermeersch
  • Geoffrey R Hutchison

Tags:

avogadro chemistry molecular science visualization admin

Avogadro

This is not the latest version of Avogadro available.

1.2.0 | Updated: 8/7/2016

Downloads:

2,008

Downloads of v 1.2.0:

396

Maintainer(s):

Software Author(s):

  • Marcus D Hanwell
  • Tim Vandermeersch
  • Geoffrey R Hutchison

Avogadro 1.2.0

This is not the latest version of Avogadro available.

All Checks are Passing

2 Passing Test


Validation Testing Passed


Verification Testing Passed

Details

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

>

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

>

To uninstall Avogadro, 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 avogadro -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 avogadro -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 avogadro installed
  win_chocolatey:
    name: avogadro
    state: present
    version: 1.2.0
    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 'avogadro' do
  action    :install
  version  '1.2.0'
  source   'STEP 3 URL'
end

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


Chocolatey::Ensure-Package
(
    Name: avogadro,
    Version: 1.2.0,
    Source: STEP 3 URL
);

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


cChocoPackageInstaller avogadro
{
   Name     = 'avogadro'
   Ensure   = 'Present'
   Version  = '1.2.0'
   Source   = 'STEP 3 URL'
}

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


package { 'avogadro':
  provider => 'chocolatey',
  ensure   => '1.2.0',
  source   => 'STEP 3 URL',
}

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


salt '*' chocolatey.install avogadro version="1.2.0" 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.

This package was approved by moderator ferventcoder on 8/18/2016.

Description

Avogadro is an advanced molecule editor and visualizer designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas. It offers flexible high quality rendering and a powerful plugin architecture.

  • Cross-Platform: Molecular builder/editor for Windows, Linux, and Mac OS X.
  • Free, Open Source: Easy to install and all source code is available under the GNU GPL.
  • International: Translations into Chinese, French, German, Italian, Russian, Spanish, and others, with more languages to come.
  • Intuitive: Built to work easily for students and advanced researchers both.
  • Fast: Supports multi-threaded rendering and computation.
  • Extensible: Plugin architecture for developers, including rendering, interactive tools, commands, and Python scripts.
  • Flexible: Features include Open Babel import of chemical files, input generation for multiple computational chemistry packages, crystallography, and biomolecules.

tools\chocolateyInstall.ps1
$InstallArgs = @{
   packageName = 'avogadro'
   installerType = 'exe'
   url = 'https://sourceforge.net/projects/avogadro/files/avogadro/1.2.0/Avogadro-1.2.0n-win32.exe/download'
   checksum = '9b23bb56695a92ab4ee9a0ae87702cb4dcfe44f3'
   checksumType = 'sha1'
   silentArgs = '/S'
   validExitCodes = @(0)
}

Install-ChocolateyPackage @InstallArgs
tools\chocolateyUninstall.ps1
$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 -eq 'Avogadro'} |
                     Select-Object -ExpandProperty UninstallString


$UninstallArgs = @{
   packageName = 'avogadro'
   fileType = 'exe'
   file = $unexe
   silentArgs = '/S'
   validExitCodes = @(0)
}

Uninstall-ChocolateyPackage @UninstallArgs





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
Avogadro 1.2.0.20170307 941 Tuesday, March 7, 2017 Approved
Avogadro 1.2.0 396 Sunday, August 7, 2016 Approved

This package has no dependencies.

Discussion for the Avogadro Package

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  • This discussion is only about Avogadro and the Avogadro 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 Avogadro, 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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