Chemical Analytics Platform

Chemical Analytics Platform.

Summary

Chemical Analytics Platform is a freely available Virtual Machine encompassing tools, databases, and KNIME workflows.

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Chemical-Analytics-Platform Virtual Machine

Build Status DOI

Scripts to create a Vagrant box using packer and ansible.

For available software inside Virtual machine see https://github.com/NLeSC/Chemical-Analytics-Platform/wiki

Usage

Requirements:

  • VirtualBox, https://www.virtualbox.org
  • Vagrant, https://www.vagrantup.com

Start virtual machine with

vagrant init nlesc/chemical-analytics-platform vagrant up

Build

Requirements:

  • VirtualBox, https://www.virtualbox.org/
  • Vagrant, https://www.vagrantup.com/
  • Packer, https://packer.io
  • Enough disk space (15Gb)
    • Make sure temporary directory (/tmp by default on Linux) has enough space. Use TMPDIR environment variable to overwrite default location

packer build -force packer.json

The build will produce 2 files: * packer_virtualbox-iso_virtualbox.box, Vagrant box, ca be used as base for a Vagrant virtual machine * output-virtualbox-iso/cap.ova, Open Virtualization Format Archive, can be imported into VirtualBox as a virtual machine

Test

Add box to Vagrant with

vagrant box remove --force --all nlesc/chemical-analytics-platform vagrant box add --name nlesc/chemical-analytics-platform packer_virtualbox-iso_virtualbox.box

Then use steps described at Usage chapter in a new directory.

Push

Requirements:

  • Atlas account, https://atlas.hashicorp.com

Publish box on https://atlas.hashicorp.com/nlesc/boxes/chemical-analytics-platform using the following steps:

  1. Create a new version
  2. Create a new provider
  3. Choose virtualbox as provider
  4. Choose Upload
  5. Press Continue to upload
  6. Upload the packer_virtualbox-iso_virtualbox.box file generated by vagrant package
  7. Edit version
  8. Press Release version

Extending

The ova file produced during build can be used as as starting point in a another packer image build project using the 'virtualbox-ovf' packer builder.

To give another project also self upgrade capabilities add it's upgrade script to /etc/vagrant_upgrade.d directory.

Library
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NLeSC_Chemical-Analytics-Platform.json

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