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conda-forge package #60

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orbeckst opened this issue Nov 22, 2021 · 2 comments
Open

conda-forge package #60

orbeckst opened this issue Nov 22, 2021 · 2 comments

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@orbeckst
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Is your feature request related to a problem? Please describe.
For inclusion in larger software packages (such as MDAnalysis), users expect to be able to install all dependent libraries in a seamless fashion. mmcif_pdbx only installs via setuptools.

Describe the solution you'd like
The package should be conda-installable with a conda-forge package

Describe alternatives you've considered
For many users, setuptools is probably sufficient. However, it is common that scientific computing environments are managed with conda. Moreover, when used as a dependency of a package that encourages installation via conda then there's no real alternative to keep installation easy for users.

If it's only available with setuptools then MDAnalysis, for example, would not use it.

Additional context
MDAnalysis/mdanalysis#2367

@orbeckst
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At MDAnalysis we have some experience with creating conda-forge packages so we could help if needed.

@sobolevnrm
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Any help would be much appreciated!

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