puppet-D3R

Contains puppet configuration to provision a machine that can run D3R software.

Software installed

• Pymol 1.8.4
• Rdkit 2016.03.3
• NCBI Blast 2.3.0
• Openeye (2017.6.1)

Applying this configuration manually

Although not correct, one way to apply this configuration is to install puppet 4 on a Linux node and run these commands assuming git is also installed:

git clone https://github.com/drugdata/puppet-d3r.git
echo -e "\n# Run the d3r open class\nclass { 'd3r::open': }\n" >> puppet-d3r/manifests/open.pp
puppet apply puppet-d3r/manifests/open.pp