KosinskiLab / AlphaPulldown

https://doi.org/10.1093/bioinformatics/btac749
GNU General Public License v3.0
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Installation does not work on Macbook with M2 #145

Closed jkosinski closed 1 week ago

jkosinski commented 1 year ago

https://github.com/KosinskiLab/AlphaPulldown/blob/dff6ca70ad631bd37f6dcfb18dbdfa95a5d20170/README.md?plain=1#L56 I think this is because the two package versions do not exist for M2.

$ conda create -n AlphaPulldown1 -c omnia -c bioconda -c conda-forge python==3.8 openmm=7.5.1 pdbfixer=1.6 kalign2=2.04 cctbx-base
Retrieving notices: ...working... done
Collecting package metadata (current_repodata.json): done
Solving environment: failed with repodata from current_repodata.json, will retry with next repodata source.
Collecting package metadata (repodata.json): done
Solving environment: failed

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

  - python==3.8
  - kalign2=2.04

Current channels:

  - https://conda.anaconda.org/omnia/osx-arm64
  - https://conda.anaconda.org/omnia/noarch
  - https://conda.anaconda.org/bioconda/osx-arm64
  - https://conda.anaconda.org/bioconda/noarch
  - https://conda.anaconda.org/conda-forge/osx-arm64
  - https://conda.anaconda.org/conda-forge/noarch
  - https://repo.anaconda.com/pkgs/main/osx-arm64
  - https://repo.anaconda.com/pkgs/main/noarch
  - https://repo.anaconda.com/pkgs/r/osx-arm64
  - 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.
jkosinski commented 7 months ago

It still doesn't work for me. With the current command:

conda create -n AlphaPulldown -c omnia -c bioconda -c conda-forge python==3.10 openmm==8.0 pdbfixer==1.9 kalign2 cctbx-base pytest importlib_metadata hhsuite

I am getting:

$ conda create -n AlphaPulldown -c omnia -c bioconda -c conda-forge python==3.10 openmm==8.0 pdbfixer==1.9 kalign2 cctbx-base pytest importlib_metadata hhsuite
Collecting package metadata (current_repodata.json): done
Solving environment: failed with repodata from current_repodata.json, will retry with next repodata source.
Collecting package metadata (repodata.json): done
Solving environment: failed

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

  - hhsuite
  - kalign2

Current channels:

  - https://conda.anaconda.org/omnia/osx-arm64
  - https://conda.anaconda.org/omnia/noarch
  - https://conda.anaconda.org/bioconda/osx-arm64
  - https://conda.anaconda.org/bioconda/noarch
  - https://conda.anaconda.org/conda-forge/osx-arm64
  - https://conda.anaconda.org/conda-forge/noarch
  - https://repo.anaconda.com/pkgs/main/osx-arm64
  - https://repo.anaconda.com/pkgs/main/noarch
  - https://repo.anaconda.com/pkgs/r/osx-arm64
  - 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.
DimaMolod commented 1 week ago

Just installed successfully on Mac with M2. Jupyter notebooks work as intended; predictions don't work because of Jax issues.