Dependencies pyproject.toml

Question

Dependencies pyproject.toml

galjos opened this issue 4 months ago · 4 comments

Please put the dependencies in the pyproject.toml. This would make the installation way easier. Thanks.

[project]
dependencies = [
...
]

Answer 1 · 2024-06-26T09:17:19.000Z

We are using the setup.cfg for installation and the dependencies are there. In which way would your change make it simpler?

Answer 2 · 2024-06-26T09:34:25.000Z

Didn't see that. Then, please delete the dependency installation from your README.md, this confused me. And if we are already there, can you include torch-dftd to your dependencies.

Answer 3 · 2024-06-26T09:37:08.000Z

This is an optional dependency, only used for a very restricted part of the code. As written in the readme, the recommended way to install mace is through pypi that will automatically resolved dependencies.

Answer 4 · 2024-06-26T09:39:01.000Z

Ok, then thanks for your time.