News and Updates¶
RSS Feed Now Available¶
I have now made an RSS feed for this news section: https://adicksonlab.github.io/wepy/news.rss
You can follow releases of packages using the services they are deployed on:
If you aren’t familiar you’ll need to get a Feed Reader applications that basically goes and fetches the RSS (or Atom) feed pages and provides you a readable digest of the articles there.
~salotz
Wepy Paper Preprint Released¶
A preprint for the academic paper describing wepy has been published
on ChemRxiv.
This paper goes into more detail regarding some of the relationships of
the wepy architecture to the mathematical descriptions of Weighted
Ensemble (WE) in general.
It also describes some of the challenges and solutions that wepy
solves with regards to the complexity of WE trajectory data that is
different from normal linear trajectories.
In these respects it is a great supplementary resource for understanding
some of the higher-level issues wepy solves.
Enjoy,
~salotz
Wepy 1.0 Release¶
We are finally releasing the official 1.0 version of wepy.
This will make pip install wepy point to the correct mostly up to
date version which has been a point of confusion in the past.
In the past few months not a lot of changes to the code has occured (despite being used by many people) and most of the progress has occured around improving the developer workflows for writing and testing examples and tutorials.
We encourage everyone to look through the documentation and see what all there is to learn! Also, not all of the documentation materials are complete at this point, but will be filled out in the coming months as time allows.
Tutorial for Contributors for Running and Writing Examples¶
We have a separate repository where we save all the workshops we have done for the users/contributors in our lab:
https://gitlab.com/ADicksonLab/wepy-developer-resources
These are topics which may change throughout time, so we don’t include
them in the main wepy tree nor do we guarantee they will work in
perpetuity.
Today we are running a workshop on getting people started running &
writing examples for wepy:
In the wepy project we have a number of utilities which we think
will help us in keeping the examples in our docs up to date with the
code.
Outdated docs are a frequent problem with software projects. Hopefully, the strategies that we start to outline here can help you in all your software projects by gaining a discipline of carefully maintaining and pinning your dependencies for purpose-driven virtualenvs.
A common structure for writing examples and tutorials also helps to allow for automated processes to create and test them in a uniform and low friction way.
~salotz
