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RECETOX / RIAssigner

RIAssigner is a python tool for retention index (RI) computation for GC-MS data.
MIT License
4 stars 6 forks source link

How to install from pip? #84

Closed cthoyt closed 1 year ago

cthoyt commented 2 years ago

Conda is pretty problematic as far as reproducibility goes since you have to hack together environments. Ideally, packages can be installed from pip, but this doesn't seem to be documented on the README. Is this possible?

martenson commented 2 years ago

This package can be install with pip by running pip install .

You can also try the Docker or Singularity containers at https://biocontainers.pro/tools/riassigner.

hechth commented 2 years ago

For installation guideline see the 'Installation' section in the readme - there is also a section on how to install the package manually.

Otherwise it would maybe also be possible to host the package via pypi, but that would require additional steps.

cthoyt commented 2 years ago

Yes I am explicitly interested in using the standard package installation procedure from PyPI - a package without this won’t be useful/usable to most potential users

hechth commented 2 years ago

Thanks for the feedback - yeah, I was considering hosting on PyPI some time ago but then didn't follow up with it - I agree that a large user base uses PyPI exclusively.

I'll have a look and see that we can get the package onto PyPI!

Anyways, did you succeed with the installation?

hechth commented 2 years ago

@cthoyt the package is now installable via pip - can you please confirm everything works fine for you?

hechth commented 2 years ago

@cthoyt Are you still experiencing some problems that need to be addressed for the review?

cthoyt commented 1 year ago

@hechth sorry I seemed to miss your comment before. Pip install works great now!