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ersilia-os / zaira-chem

Automated QSAR based on multiple small molecule descriptors
GNU General Public License v3.0
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`install_linux.sh` script is not working for m1 mac. #6

Closed leoank closed 2 years ago

leoank commented 2 years ago

Describe the bug install_linux.sh script is not working for m1 mac. I realize that this script is meant to work only for Linux systems. But, even on Linux systems, the script can have unintended behavior. For example, the installation is split into multiple steps and the script doesn't abort if one of the steps fails. This can lead to broken installations and hard to debug issues later.

To Reproduce Steps to reproduce the behavior:

  1. execute bash install_linux.sh on an m1 mac

Expected behavior executing bash install_linux.sh should have installed zairachem on the system

Desktop (please complete the following information):

miquelduranfrigola commented 2 years ago

Hi @leoank thanks for raising this issue. I agree with your points. Please feel free to work in a Python script to replace the current bash script, as well as adding checks.

miquelduranfrigola commented 2 years ago

Hi @leoank did you make any progress on this end?

leoank commented 2 years ago

Hey @miquelduranfrigola, I have some notes and I did some work on adapting a python script that I wrote for a different project. But, it wasn't on priority. So, I not working on it actively. If this is urgent then I can spend some time on closing this issue.

miquelduranfrigola commented 2 years ago

Update: I have figured out a way of making ersilia work on mac m1, although I haven't tested in on zairachem. Closing the issue for now.