Make ersilia conda-installable about ersilia

[anamika-yadav99]

Hi @miquelduranfrigola I tried to make this package conda installable but it keeps breaking down on conda build command. That's because there are dependencies which are not present on Conda. The problem is that conda package dependencies only refer to other conda packages. I also tried to repackage the dependencies not present on conda and then publish them in my channel but again, the conda build failed because they have dependencies which are not present on conda. For now, I have opened issues in dependencies which aren't on conda to make them conda package. Meanwhile, I'm also looking for work around this issue.

If there's something you know that could be helpful here?

[IdealisticINTJ]

Hi @miquelduranfrigola,
I'd like to work on this issue. Please assign it to me.

[GemmaTuron]

hello @IdealisticINTJ and @anamika-yadav99

Thanks for your interest to contribute to this. TPlease, first refer to issue #36 before continuing the work here.
@anamika-yadav99, please also go to issue #36 before and we will then work on this issue

[miquelduranfrigola]

Hi @anamika-yadav99 thanks for your contribution here. These dependencies should be pip-installable, if I am not mistaken. If you install pip in the conda environment, is it possible to then install these packages with the pip command?

[anamika-yadav99]

@miquelduranfrigola Yes the dependencies are pip-installable but they aren't conda-installable. Dependencies are required to be conda installable to build a conda package.

[miquelduranfrigola]

Hi @anamika-yadav99 thanks a lot. The conda skeleton solution that you suggest seems to be a good option: https://stackoverflow.com/questions/64916092/how-do-i-install-pip-packages-through-a-conda-build-recipe

[anamika-yadav99]

Hi @miquelduranfrigola I'm on it.

[miquelduranfrigola]

Hi @anamika-yadav99 I am closing the issue now. All is well noted and some folk volunteers who are writing Github Actions with us will use your contribution. So I greatly appreciate it.

Will reopen in case any problems emerge!