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uibcdf / OpenPharmacophore

An open library to work with pharmacophores.
https://www.uibcdf.org/OpenPharmacophore
MIT License
33 stars 10 forks source link

Git tag #37

Open hadim opened 2 years ago

hadim commented 2 years ago

Hello,

I would like to make a conda-forge library of this package but I need the repo to have a git tag for it (or a pypi upload with a version).

Could you add this?

Thanks.

hadim commented 2 years ago

ping @Daniel-Ibarrola

hadim commented 2 years ago

Also, it seems to package depends on a lib called uibcdf_stdlib that I can't find anywhere. To build the conda forge package I would also need to build that package.

More generally, do you have a list of required packages for the library? Or point me to the correct conda yaml file in devtools/ please?

Daniel-Ibarrola commented 2 years ago

Hello,

We are working on adding the package to conda, once its uploaded I’ll let you know so I’m not closing the issue.

Meanwhile, if you’d like, you can clone the repository and install it manually. Keep in mind that this is an early and unstable version.

Regarding the packages, the uibcdf_stdlib can be found here https://github.com/uibcdf/UIBCDF-Standard-Library and can be installed from the conda channel of the uibcdf.

The requirements file is located in devtools/conda-envs/test_env.yaml

hadim commented 2 years ago

Thanks.

Are you planning to add it to your own conda channel or to the conda-forge channel?

Daniel-Ibarrola commented 2 years ago

We will add it to our own channel.