Longbow v1.3.2
The changes for this release are summarised below:
-
Fix for new gromacs packaging where the gmx mdrun CLI would not be
recognised. -
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. -
Can now use -deffnm with gromacs on replicate jobs with global files
without having to also set -s. -
Fix for missing space in sge replicate script generator
-
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'. -
New common executable naming schemes added for things like cuda.
-
Fixed some missing newline characters from the job submit script
generator. -
Recovery system broken by renaming the method to same as a variable,
this has now been resolved. -
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.