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Add support for the non-free netMHC tool family #71

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@lkuchenb lkuchenb commented Jan 22, 2021

PR checklist

Additions

This patch adds support for the non-free 3rd party tools NetMHC, NetMHCpan, NetMHCII and NetMHCIIpan. Since the tools' licenses do not allow for redistribution of the software, the user has to provide the software tarball which can be obtained from the upstream website.

  • To maintain reproducibility, the pipeline validates the checksum of the provided software tarballs
  • The patch provides a process that
    • Unpacks the software tarballs
    • Performs necessary modifications to the tools wrapper scripts as required by the installation instructions
    • Downloads the model data as required by installation instructions. Again, checksums are being checked.

Changes

  • epaa.py: Make tool name comparison case insensitive. Unfortunately, the method names aren't uniform w.r.t. upper / lower case letters among the netMHC family of tools.
  • main.nf: Convert params.tools to a groovy list before parsing. The previous .contains() calls were applied on strings, which worked fine for the previously used tools, but since e.g. netmhc is a substring of netmhcpan it would clash with the newly added tools

@lkuchenb lkuchenb changed the title Add/netmhc Add support for the non-free netMHC tool family Jan 22, 2021
@lkuchenb lkuchenb added the enhancement New feature or request label Jan 22, 2021
@lkuchenb lkuchenb force-pushed the add/netmhc branch 2 times, most recently from 1d12884 to 5d83247 Compare January 25, 2021 11:46
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Re-opened as intra-repo PR in #73 for CI secrets access

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