Pip3 install vina -global-option=build_ext -global-option="-L/$(brew install boost || brew -cellar boost)" -global-option="-L/$(brew install boost-python3 || brew -cellar boost-python3)"Ĭonda install -c pytorch pytorch torchvision -y Particularly I’m not sure about the install locations, and I wanna make sure it doesn’t bork an existing installation (I do not have an existing installation of conda). Could you try running this on your machine and let me know if it installs correctly? (Some of the tests should pass, but not all). Hi, the brew packages are still needed for boost and boost-python3. The main issues seem to stem from lack of support in tensorflow-metal for certain optimizers. However–they are definitely using the GPU. I have some of the tests working, but they are quite slow. Make sure to run it with the -n flag the first time to download and reinstall miniforge3. I am also working on getting it to work with PyTorch. Please if anyone else who has an M1 Mac, if they are interested, I would like to make sure that this works on any machine, not just mine. Python -m pytest src/deepchem/deepchem/models/tests/ -lfīe aware that this also installs globally some brew packages. Python -m pip install -e git+ -force-reinstall
Pip3 install tensorflow-metal -force-reinstall Pip3 install tensorflow-macos -force-reinstall Pip3 install joblib pandas scikit-learn scipy rdkit-pypi flaky optax dm-haiku biopython Pip3 install vina -global-option=build_ext -global-option="-L/$(brew -cellar boost)" -global-option="-L/$(brew -cellar boost-python3)" Source ~/miniforge3/etc/profile.d/conda.shĬonda install -c conda-forge rust pdbfixer mdtraj -yĬonda install -c anaconda pip h5py cython pkgconfig -yĬonda install -c apple tensorflow-deps -force-reinstall -y Rm -rf /private/var/folders/w2/*/T/deepchem* || trueĬhmod +x. Note that the ordering of elements in this script is important: #!/bin/zsh This script should bootstrap without any requirements. I am working on creating a script for building DeepChem on M1 Mac.
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