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FAIR-Chem / fairchem

FAIR Chemistry's library of machine learning methods for chemistry
https://opencatalystproject.org/
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Numpy 2.0 breaks installation #730

Closed DipeshSomvanshi closed 2 weeks ago

DipeshSomvanshi commented 4 weeks ago

I recently installed fairchem on ubuntu and numpy was installed with the latest version 2.0. When I ran the quickstart on readme, I got the following error

''A module that was compiled using NumPy 1.x cannot be run in NumPy 2.0.0 as it may crash. To support both 1.x and 2.x versions of NumPy, modules must be compiled with NumPy 2.0. Some module may need to rebuild instead e.g. with 'pybind11>=2.12'.

If you are a user of the module, the easiest solution will be to downgrade to 'numpy<2' or try to upgrade the affected module. We expect that some modules will need time to support NumPy 2. "

The error has a simple fix to downgrade numpy to 1.26.4. Creating the issue to let the developers know!

mshuaibii commented 2 weeks ago

Thanks for flagging. For the time being we have pinned the numpy version to <2: #724 until we resolve changes in the code.

Thanks!