Matt Thompson

149 posts

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Matt Thompson

Matt Thompson

@mwt_dev

Senior RSE @openforcefield / @openmsf views my own

Joined Şubat 2020
220 Following167 Followers
Matt Thompson
Matt Thompson@mwt_dev·
Needed to remove and re-install my mambaforge distribution, which I think is the cause of several million files being in my trash. (We passed 2,500,000 over the course of writing these two sentences.)
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Matt Thompson
Matt Thompson@mwt_dev·
Two of my peers/mentors in grad school (hey Christoph, hey Tim) sat me down within my first week in the lab and said "learn this," something I am forever grateful for
Armin Ronacher ⇌@mitsuhiko

In memory of Bram Moolenaar: how did you get into Vim? For me it started gradually via gvim. I used it casually until I copied the .vimrc from @amix3k. That “madman” remapped the arrow keys which for the first time made me realize people actually use ghjk. I became a convert.

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Matt Thompson
Matt Thompson@mwt_dev·
@mikehenry42 $ grep -r "flake8-" ../../*/.p*ml | cut -d' ' -f2- | sort | uniq 'flake8-absolute-import', 'flake8-bugbear', 'flake8-no-pep420', 'flake8-pytest-style', looks like flake8-absolute-import is the only missing one, I can probably work with that
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Matt Thompson
Matt Thompson@mwt_dev·
@mikehenry42 Nice, I didn't look into this more than second-hand #rules" target="_blank" rel="nofollow noopener">github.com/astral-sh/ruff…
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Matt Thompson
Matt Thompson@mwt_dev·
@mikehenry42 It’s a bit over-hyped IMO but seems to work well. Last time I checked there wasn’t a plug-in interface and I’m not eager to get rid of my flake8 plugins, so I haven’t made the switch myself. I guess I could just run them side-by-side …
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Matt Thompson
Matt Thompson@mwt_dev·
And I mean "I've released" in a pretty literal sense - the actual work of getting these fixes in, in addition to the first 99.9% of the project, was other people
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Matt Thompson
Matt Thompson@mwt_dev·
I've released MDTraj 1.9.8, which should support Python 3.11 and Apple Silicon. Any deployment/installation/etc issues, please report here: github.com/mdtraj/mdtraj/…
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Matt Thompson
Matt Thompson@mwt_dev·
I aim to keep this tag regularly updated, highlighting some of the things I'm a little confused on but I'm sure somebody out there is familiar with, but also relatively low in number in order to be more accessible.
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Matt Thompson
Matt Thompson@mwt_dev·
Lately while working on Interchange with @openforcefield I'm running into a few interoperability issues I could use some help with from the community. (We've improved Amber support considerably lately, although a couple of details a still thorny.) github.com/openforcefield…
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Matt Thompson
Matt Thompson@mwt_dev·
this must have been a big day in our code being scraped (today is, in fact, not May 18, 2021)
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Matt Thompson
Matt Thompson@mwt_dev·
sure. why not? maybe next week we can have caterpillars handle Coulombic interactions
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Matt Thompson
Matt Thompson@mwt_dev·
Close, but not quite, Copilot.
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Matt Thompson
Matt Thompson@mwt_dev·
@jaime_rgp `conda activate -` would be nice (and probably possible? haven't looked into it)
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Jaime R.
Jaime R.@jaime_rgp·
You might know that you can use `cd -` to go the previous directory you were working on. Well, out of habit I intuitively typed `git checkout -` and it did exactly what you were expecting it to do: checkout the previous branch you were working on! Awesome!
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Matt Thompson retweeted
Open Molecular Software Foundation
Open Molecular Software Foundation@openmsf·
We are looking for a community manager to help us build efficient information flows for #opensource projects in molecular sciences, and herd cats in real and virtual spaces!🐱 Read the job description: #communitymanager" target="_blank" rel="nofollow noopener">omsf.io/about/careers/… Apply here: forms.gle/wMUu6eU82vzpnJ… Please RT!
Open Molecular Software Foundation@openmsf

We are very pleased to say that OMSF also received a grant from @cziscience in this round to support our community building efforts in #opensource #compchem area. We will need a community manager to help us so stay tuned if you might be interested in this role! #openscience

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