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MacOS虚拟环境中安装rdkit经验

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MacOS虚拟环境中安装rdkit经验

在anaconda中给新项目新建了一个python3.8的环境,想要安装rdkit,

试用了好几种方法,失败了几次,终于成功了,不理解原因,先记录一下。

conda install rdkit

结果:

PackagesNotFoundError: The following packages are not available from current channels:

  - rdkit

Current channels:

  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/free/osx-64
  - https://mirrors.tuna.tsinghua.edu.cn/anaconda/pkgs/free/noarch
  - https://repo.anaconda.com/pkgs/main/osx-64
  - https://repo.anaconda.com/pkgs/main/noarch
  - https://repo.anaconda.com/pkgs/r/osx-64
  - https://repo.anaconda.com/pkgs/r/noarch

To search for alternate channels that may provide the conda package you're
looking for, navigate to

    https://anaconda.org

and use the search bar at the top of the page.
#失败

conda install -c rdkit rdkit

结果:

failed                                                                                                                                                   UnsatisfiableError: The following specifications were found
to be incompatible with the existing python installation in your environment:

Specifications:

  - rdkit -> python[version='2.7.*|3.5.*|3.6.*|>=2.7,<2.8.0a0|>=3.6,<3.7.0a0|>=3.7,<3.8.0a0|>=3.5,<3.6.0a0|3.4.*']

Your python: python=3.8

If python is on the left-most side of the chain, that's the version you've asked for.
When python appears to the right, that indicates that the thing on the left is somehow
not available for the python version you are constrained to. Note that conda will not
change your python version to a different minor version unless you explicitly specify
that.
#失败

conda install -c conda-forge rdkit

#成功

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