Utilities to run on MPI.
Adapted from Yank.mpi
Copyright (c) 2018, Chodera Lab
Project based on the Computational Molecular Science Python Cookiecutter
Utilities to run on MPI.
License: MIT License
Utilities to run on MPI.
Adapted from Yank.mpi
Copyright (c) 2018, Chodera Lab
Project based on the Computational Molecular Science Python Cookiecutter
mpi4py is a dependency for openmmtools but is not listed in the conda dependency list
Hello,
by looking at the distribute
function I noticed that the default value of the send_results_to
variable is unclear. In fact it is 'all'
, the doc string says it should be None
, and inside the function it looks like some parts of it look for send_results_to
to be None
and others to be 'all'
.
I hope I haven't misunderstood the function.
ps from the doc string I haven't really understood if None
should have the same behavior of 'all'
or not
MolSSI is reaching out to every repository created from the MolSSI Cookiecutter-CMS with a .travis.yml
file present to alert them to a potential security breach in using the Travis-CI service.
Between September 3 and September 10 2021, the Secure Environment Variables Travis-CI uses were leaked for ALL projects and injected into the publicly available runtime logs. See more details here. All Travis-CI users should cycle any secure variables/files, and associated objects as soon as possible. We are reaching out to our users in the name of good stewards of the third-party products we recommended and might still be in use and provide a duty-to-warn to our end-users given the potential severity of the breach.
We at MolSSI recommend moving away from Travis-CI to another CI provider as soon as possible. The nature of this breach and the way the response was mis-handled by Travis-CI, MolSSI cannot recommend the Travis-CI platform for any reason at this time. We suggest either GitHub Actions (as is used from v1.5 of the Cookiecutter-CMS) or some other service offered on GitHub.
If you have already addressed this security concern or it does not apply to you, feel free to close this issue.
This issue was created programmatically to reach as many potential end-users as possible. We do apologize if this was sent in error.
At some point, we should add a brief quickstart guide to the README
and more sphinx docs.
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