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2020年3月9日 星期一

Mac install tensorflow 2.1.0, Keras 2.3.1, scikit-learn, and RDkit

Tensorflow:
我選擇system安裝,不使用virtual environment

$ /usr/bin/ruby -e "$(curl -fsSL https://raw.githubusercontent.com/Homebrew/install/master/install)"
$ export PATH="/usr/local/bin:/usr/local/sbin:$PATH"
$ brew update
$ brew install python
$ sudo pip3 install -U virtualenv
$ pip3 install --user --upgrade tensorflow

如果是python3.7.3版本的話要修改linecache.py

$ sudo vi /Library/Developer/CommandLineTools/Library/Frameworks/Python3.framework/Versions/3.7/lib/python3.7/linecache.py

第48行改成
for mod in list(sys.modules.values()): # for mod in sys.modules.values():

Keras:

$ brew install hdf5
$ brew install graphviz
$ sudo pip3 install pydot (一定要加sudo)
$ vi ~/.bash_profile
export PATH=/usr/local/bin:/usr/local/sbin:~/bin:$PATH
$ source ~/.bash_profile
$ sudo pip3 install keras (一定要加sudo)

scikit-learn:
$ pip3 install -U scikit-learn

RDkit:
$ brew tap rdkit/rdkit
$ brew install rdkit

If you need to have icu4c first in your PATH run:
  echo 'export PATH="/usr/local/opt/icu4c/bin:$PATH"' >> ~/.zshrc
  echo 'export PATH="/usr/local/opt/icu4c/sbin:$PATH"' >> ~/.zshrc

For compilers to find icu4c you may need to set:
  export LDFLAGS="-L/usr/local/opt/icu4c/lib"
  export CPPFLAGS="-I/usr/local/opt/icu4c/include"

==> openblas
openblas is keg-only, which means it was not symlinked into /usr/local,
because macOS provides BLAS and LAPACK in the Accelerate framework.

For compilers to find openblas you may need to set:
  export LDFLAGS="-L/usr/local/opt/openblas/lib"
  export CPPFLAGS="-I/usr/local/opt/openblas/include"

==> rdkit
      You may need to add RDBASE to your environment variables.
      For Bash, put something like this in your $HOME/.bashrc:
        export RDBASE=/usr/local/share/RDKit

參考
https://github.com/rdkit/homebrew-rdkit

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