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rdkit / homebrew-rdkit

Homebrew formula for rdkit
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More build options #59

Closed hsiaoyi0504 closed 6 years ago

hsiaoyi0504 commented 6 years ago

As a continuous effort, I updated #57 (see original PR for more detail of the first commit) to this. Now travis test on python 2 as well.

UnixJunkie commented 6 years ago

Why do we need pip3 install numpy? Can't the formula be fully automatic and only rely on other brew formulas?

hsiaoyi0504 commented 6 years ago

@UnixJunkie Actually, I don't know. As you can see in the README.md, there is a conflict before. Maybe it's fixed now, but I don't need this feature and I don't think it's reasonable to install numpy by homebrew. As you can see in the documentation: https://docs.brew.sh/Python-for-Formula-Authors,

Homebrew generally won’t accept libraries that can be installed correctly with pip install foo.

UnixJunkie commented 6 years ago

OK, but then your formula should do the pip install foos itself. I.e. be fully automatic.

hsiaoyi0504 commented 6 years ago

No, I don't think so. We should let pip handle installation related to python as more as possible.

hsiaoyi0504 commented 6 years ago

Take the way cython formula do as a reference https://github.com/Homebrew/homebrew-core/blob/4c00e62040d56399acb0b0b7c6c87414aac76a7c/Formula/cython.rb

hsiaoyi0504 commented 6 years ago

@mcs07 Do you have any suggestion on this ?

UnixJunkie commented 6 years ago

I mean: if you know that the user has to run 'pip install something' before 'brew install rdkit'. Then put the 'pip install something' inside your brew formula. Why require the user to do something that the formula can automatically do? This is just annoying people for no good reason.

UnixJunkie commented 6 years ago

@hsiaoyi0504 please accept my apologies if any of my previous comments was souding offensive. This was not my intention. Also, thanks for taking care of this brew formula. I'd like to help with it but I am not very often in front of a Mac. Best regards, Francois.

hsiaoyi0504 commented 6 years ago

@UnixJunkie Thanks so much for your note. I really appreciate your kind words and it was great to hear from you.

hsiaoyi0504 commented 6 years ago

Close, I think most of them are fixed in #61.

hsiaoyi0504 commented 6 years ago

I will open a pull request again for also building under python 2.