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<civodul>i learn Guix has only one package for "atomistic simulation", which makes it less appealing than EasyBuild (24), Spack (19), etc.

<civodul>(for someone into that, that is)

<civodul> https://atomistic.software/

<rekado>I’m slowly adding chemiobioinfo packages

<rekado>the one atomistic simulation package we do have is lammps, isn’t it?

<civodul>i think so, or is it GROMACS?

<civodul>my intern's repo2docker contribution is still pending: https://github.com/jupyterhub/repo2docker/pull/1048#issuecomment-921666439 :-/

<civodul>for once i feel like i'm on the other side of the patch queue :-)

<civodul>anyway, feel free to add thumbs up to the thing above

<civodul>i was told that Guix should consider applying for NumFOCUS affiliation: https://numfocus.org/sponsored-projects/affiliated-projects

<civodul>"The Reproducible Execution Environment Specification": https://repo2docker.readthedocs.io/en/latest/specification.html

<civodul>i knew repo2docker but i didn't know there was a name, a spec, and all

<zimoun>hi!

<zimoun>civodul: nice slides!

<zimoun>I think, there is a bias about Repo Accurate package data.

<zimoun>I am not convinced that CRAN 85% can be compared with PyPI 31%. Because of the heterogeneity of inputs, native-inputs, propagated-inputs. Other said, CRAN over-represents “simple” packages and PyPI over-represents complex packages (more depedencies and so on)

<civodul>o/

<civodul>zimoun: yes, those accuracy measurements are tricky

<civodul>still, we can conclude that CRAN packages usually work out of the box

<civodul>as shown by rekado's auto-importer for R

<civodul>whereas PyPI packages "usually" need more work

<civodul>but as you write, that's also because more of the things on PyPI depend on C/C++ code, for example

<zimoun>Yes, I agree. :-)

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2021-11-12.log