Guillaume Fraux

Results 461 comments of Guillaume Fraux

> This is a bit strange and probably a bug, is this 1ake from the wwwPDB? Ok, I understand this part. The core of the issue is that to relatively...

> "the norm" is to use PDB files instead of MOL ones anyway, so using JSON parameters doesn't seem outrageous in this context. "big" simulation software have their own file...

Removing miniconda will not prevent you from doing this. The same packages would be present, and if a Python distribution is needed by a package, it would be installed. ```...

Yes, this is the intended behaviour: Conda.jl is using it's own version of miniconda exactly to prevent it from messing up any existing anaconda installation (and to prevent the user...

> It would also be really useful if there could be some examples how to setup build.jl to choose install a Python dependency correctly, i.e., using the existing installation if...

I was more thinking about the `pyimport_conda("", "")` function from PyCall. It tries to import the python package from the first argument, and if that fails and PyCall is using...

@cortner Could you please open a separated issue for your problem? This one is for discussing the implementation of the `conda` package manager to use. Thanks!

This branch works fine for me for serializing nested structs. Thanks a lot @ilya-epifanov!

Thanks you for the PR! I'll have a look at it when I can find some time, probably this weekend.

Overall the implementation looks sane, but I think it is missing documentation & tests now that we are using unsafe directly. Since there is quite a bit of work to...