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MDAnalysis / membrane-curvature

MDAnalysis tool to calculate membrane curvature.
https://membrane-curvature.readthedocs.io/
GNU General Public License v3.0
29 stars 6 forks source link

Conda release? #107

Closed hmacdope closed 7 months ago

hmacdope commented 1 year ago

@ojeda-e with the amazing new release of membrane-curvature perhaps we can think about putting up a package on conda-forge?

I would be happy to help you set it up, let me know. :)

ojeda-e commented 1 year ago

Thanks for this suggestion @hmacdope. I didn't include it in the to-do list for the 1.0.0 release because my understanding is that the package is not ready yet and it would need more work. Probably @orbeckst can confirm, but I thought I need to have the repo in a better shape.

With that said, I am fully open to suggestions. I know there are some issues still open, and I will go back to them at some point.

If a conda release with the current shape makes sense, I'll work on it as well. I just would like to have confirmation.

Thanks!

orbeckst commented 1 year ago

Definitely put up a conda-forge package. If you have a pypi release then also have a cf package.

(And 1.0.0 definitely signifies "open for business" ... so people would expect a cf package.)

hmacdope commented 1 year ago

I say go for it!

hmacdope commented 1 year ago

Let me know if you need a hand, the docs are here.

ojeda-e commented 7 months ago

Hi @hmacdope, sorry for the extremely late reply. There is one conda release available at the moment: https://anaconda.org/conda-forge/membrane-curvature

However, this release had the dirty wheel that @IAlibay pointed out in #123. Probably we'll need a patch for this conda package after there is a clean wheel.

Commenting to stay on the same page.

hmacdope commented 7 months ago

No worries, I'll close this here.