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Longbow v1.3.2

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@jimboid jimboid released this 07 Jul 14:54
· 326 commits to master since this release

The changes for this release are summarised below:

  1. Fix for new gromacs packaging where the gmx mdrun CLI would not be
    recognised.

  2. Fix for case in gromacs where if input file -s and -deffnm would be
    provided together and a file was a global file in a replicate job that
    all files would be set to output global.

  3. Can now use -deffnm with gromacs on replicate jobs with global files
    without having to also set -s.

  4. Fix for missing space in sge replicate script generator

  5. Added the ability for emails to be sent to the user, these are
    invoked by providing the email address in a submit file by
    'email-address = blah@blah.com' and also to set the email flags, these
    flags should be the same ones and same format you use in your submit
    script for example 'email-flags = -M' or 'email-flags = ib'.

  6. New common executable naming schemes added for things like cuda.

  7. Fixed some missing newline characters from the job submit script
    generator.

  8. Recovery system broken by renaming the method to same as a variable,
    this has now been resolved.

  9. Rewrites to the applications.py module, it was too unwield to add to.
    This has now been split down to allow future expansion in a much easier
    fashion.