oleweidner
commented
9 years ago Hi Andre,
Thanks for the request. The new version of the MDKernels are currently part of EnsemleMD toolkit (where some of your fixes have also been addressed) , but the ‘old’ repository you have committed to is still in use, for example by the ExTASY project.
At some point everything should be put into the external mdkernels repository, however, we haven’t done this in order to prevent any unwanted side effects / further delays in the ExtASY project. An while not terribly crucial, this should definitely be on the short-term agenda.
Having said all that, I would like to let Vivek review your changes and decide whether they can be merged into the current strand of mdkernels to make sure that this doesn’t interfere with the current cycle of ExTASY testing.
Cheers
Ole
On Mar 1, 2015, at 9:14 PM, Andre Merzky notifications@github.com wrote:
Hi folx,
I implemented some small features for the mdkernels which I found useful. Alas, I don't really understand what branch to commit to -- master seems to be ahead of devel (mostly)? Also, it would be good if someone could review the changes, please -- thus this pull request.
Thanks, Andre.
You can view, comment on, or merge this pull request online at:
https://github.com/radical-cybertools/radical.ensemblemd.mdkernels/pull/3 https://github.com/radical-cybertools/radical.ensemblemd.mdkernels/pull/3 Commit Summary
allow resource wildcards in config files add a config to support synapse profiling. I don't think that setuptools are really needed for mdkernels to function or install... fix inconsistent indentation add a small tool which demonstrates kernel binding File Changes
A bin/radical-ensemblemd-mdkernels-bind.py https://github.com/radical-cybertools/radical.ensemblemd.mdkernels/pull/3/files#diff-0 (26) M setup.py https://github.com/radical-cybertools/radical.ensemblemd.mdkernels/pull/3/files#diff-1 (5) A src/radical/ensemblemd/mdkernels/configs/synapse.json https://github.com/radical-cybertools/radical.ensemblemd.mdkernels/pull/3/files#diff-2 (10) M src/radical/ensemblemd/mdkernels/md_task_description.py https://github.com/radical-cybertools/radical.ensemblemd.mdkernels/pull/3/files#diff-3 (104) Patch Links:
https://github.com/radical-cybertools/radical.ensemblemd.mdkernels/pull/3.patch https://github.com/radical-cybertools/radical.ensemblemd.mdkernels/pull/3.patch https://github.com/radical-cybertools/radical.ensemblemd.mdkernels/pull/3.diff https://github.com/radical-cybertools/radical.ensemblemd.mdkernels/pull/3.diff — Reply to this email directly or view it on GitHub https://github.com/radical-cybertools/radical.ensemblemd.mdkernels/pull/3.
marksantcroos
Hi folx,
I implemented some small features for the mdkernels which I found useful. Alas, I don't really understand what branch to commit to -- master seems to be ahead of devel (mostly)? Also, it would be good if someone could review the changes, please -- thus this pull request.
Thanks, Andre.