Alexamk / RREFinder

Bioinfromatic application for the detection of RREs in protein sequences of interest
GNU Affero General Public License v3.0
7 stars 4 forks source link

Bioconda package #7

Open loraine-gueguen opened 2 years ago

loraine-gueguen commented 2 years ago

Hi,

I work on the bioinformatics platform ABiMS in Roscoff, France.

We are interested in your tool RREFinder. To follow our installation policies (we use Conda env), I would like to add your tool as a package on the bioconda channel. I started a PR here: https://github.com/bioconda/bioconda-recipes/pull/33650

But for that, I miss a release of the tool with a version number and a tar.gz archive. Would it be possible to tag a release in your Github repo ?

Also feel free to push commits or comment in the PR !

Regards,

Loraine Guéguen

loraine-gueguen commented 2 years ago

I submitted a PR to add a setup.py script also needed to build the conda package: https://github.com/Alexamk/RREFinder/pull/8

Alexamk commented 2 years ago

Hi! Nice to hear you're interested in using this tool and sorry for the late reply. I'll have a look at the pull request tomorrow. Can I ask if you intend to use just precision mode (relying only on HMMs) or also exploratory mode? The latter relies on several databases, and I'm not sure those could be included directly in the conda package.

Alexamk commented 2 years ago

Hello again. I've merged the setup file after adding some additional information. I've also made some updates to the script to hopefully make it easier to install the full functionality of the tool (it relies on some parts that are not on conda).

I'm not experienced in building conda packages though. What else would be required?

loraine-gueguen commented 2 years ago

Thanks! I have contacted the users to ask them if they need the precision mode or the exploratory mode. I don't know yet.

What else would be required?

Bioconda also needs a release of the tool with a version number and a tar.gz archive. Would it be possible to tag a release in your Github repo ?

Alexamk commented 2 years ago

Bioconda also needs a release of the tool with a version number and a tar.gz archive. Would it be possible to tag a release in your Github repo ?

Done.

loraine-gueguen commented 2 years ago

Thanks for the release! I will update the bioconda recipe : https://github.com/bioconda/bioconda-recipes/pull/33650 BTW, the users have answered and are interested in the exploratory mode.

Alexamk commented 2 years ago

Sounds good. A small disclaimer for exploratory mode: it relies on scripts that are part of the HHSuite package, but not officially supported. See https://github.com/soedinglab/hh-suite/issues/254. I added some scripts to enable their usage for RREFinder. Hopefully they would work as well when RREFinder is installed through Conda. We'll have to see when it is available.

loraine-gueguen commented 2 years ago

I also need to add the about/license key in the meta.yml file for conda. Do you want to add a license to your github repo ? Otherwise I can tell "no license".

loraine-gueguen commented 2 years ago

The license is a requirement, to allow redistribution of the software within bioconda. Could you please add one @Alexamk ?

Alexamk commented 2 years ago

A license has been added.

loraine-gueguen commented 2 years ago

thanks

loraine-gueguen commented 2 years ago

FYI: one last limiting point but which does not depend on you: we cannot use the psipred dependency from the channel conda biocore... I opened an issue on the biocore/conda-recipes gihub repo to ask them if they can migrate to bioconda, which they intended to do a few years ago.

loraine-gueguen commented 2 years ago

Update : without any answer from the biocore/conda-recipes gihub repo regarding the migration of psipred to bioconda, I have chosen to comment the dependency in the RREfinder conda recipe and add a post-link message : https://github.com/bioconda/bioconda-recipes/pull/33650/commits/70b9d497c46baec17c388de87083a5e9828d3cd9