Installing MD Analysis

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Javier Sanlley-hernandez

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Jun 16, 2023, 12:28:17 PM6/16/23
to MDnalysis discussion
To whom it may concern, 

I am trying to install mdanalysis as detailed in the installation guide, however when i install via conda from a new environment the command line does not go past "resolving envornment"

Alternatively, when installing through pip i get the following error message: 

"home/envs/mdaenv/lib/python3.6/site-packages/pip install --ignore-installed --no-user --prefix /tmp/pip-build-env-95ooj5zd/overlay --no-warn-script-location --no-binary :none: --only-binary :none: -i https://pypi.org/simple -- 'setuptools>=64.0.0' wheel Cython oldest-supported-numpy
       cwd: None
  Complete output (2 lines):
  ERROR: Could not find a version that satisfies the requirement setuptools>=64.0.0 (from versions: 0.6b1, 0.6b2, 0.6b3, 0.6b4, 0.6rc1, 0.6rc2, 0.6rc3, 0.6rc4, 0.6rc5, 0.6rc6, 0.6rc7, 0.6rc8, 0.6rc9, 0.6rc10, 0.6rc11, 0.7.2, 0.7.3, 0.7.4, 0.7.5, 0.7.6, 0.7.7, 0.7.8, 0.8, 0.9, 0.9.1, 0.9.2, 0.9.3, 0.9.4, 0.9.5, 0.9.6, 0.9.7, 0.9.8, 1.0, 1.1, 1.1.1, 1.1.2, 1.1.3, 1.1.4, 1.1.5, 1.1.6, 1.1.7, 1.2, 1.3, 1.3.1, 1.3.2, 1.4, 1.4.1, 1.4.2, 2.0, 2.0.1, 2.0.2, 2.1, 2.1.1, 2.1.2, 2.2, 3.0, 3.0.1, 3.0.2, 3.1, 3.2, 3.3, 3.4, 3.4.1, 3.4.2, 3.4.3, 3.4.4, 3.5, 3.5.1, 3.5.2, 3.6, 3.7, 3.7.1, 3.8, 3.8.1, 4.0, 4.0.1, 5.0, 5.0.1, 5.0.2, 5.1, 5.2, 5.3, 5.4, 5.4.1, 5.4.2, 5.5, 5.5.1, 5.6, 5.7, 5.8, 6.0.1, 6.0.2, 6.1, 7.0, 8.0, 8.0.1, 8.0.2, 8.0.3, 8.0.4, 8.1, 8.2, 8.2.1, 8.3, 9.0, 9.0.1, 9.1, 10.0, 10.0.1, 10.1, 10.2, 10.2.1, 11.0, 11.1, 11.2, 11.3, 11.3.1, 12.0, 12.0.1, 12.0.2, 12.0.3, 12.0.4, 12.0.5, 12.1, 12.2, 12.3, 12.4, 13.0.1, 13.0.2, 14.0, 14.1, 14.1.1, 14.2, 14.3, 14.3.1, 15.0, 15.1, 15.2, 16.0, 17.0, 17.1, 17.1.1, 18.0, 18.0.1, 18.1, 18.2, 18.3, 18.3.1, 18.3.2, 18.4, 18.5, 18.6, 18.6.1, 18.7, 18.7.1, 18.8, 18.8.1, 19.0, 19.1, 19.1.1, 19.2, 19.3, 19.4, 19.4.1, 19.5, 19.6, 19.6.1, 19.6.2, 19.7, 20.0, 20.1, 20.1.1, 20.2.2, 20.3, 20.3.1, 20.4, 20.6.6, 20.6.7, 20.6.8, 20.7.0, 20.8.0, 20.8.1, 20.9.0, 20.10.1, 21.0.0, 21.1.0, 21.2.0, 21.2.1, 21.2.2, 22.0.0, 22.0.1, 22.0.2, 22.0.4, 22.0.5, 23.0.0, 23.1.0, 23.2.0, 23.2.1, 24.0.0, 24.0.1, 24.0.2, 24.0.3, 24.1.0, 24.1.1, 24.2.0, 24.2.1, 24.3.0, 24.3.1, 25.0.0, 25.0.1, 25.0.2, 25.1.0, 25.1.1, 25.1.2, 25.1.3, 25.1.4, 25.1.5, 25.1.6, 25.2.0, 25.3.0, 25.4.0, 26.0.0, 26.1.0, 26.1.1, 27.0.0, 27.1.0, 27.1.2, 27.2.0, 27.3.0, 27.3.1, 28.0.0, 28.1.0, 28.2.0, 28.3.0, 28.4.0, 28.5.0, 28.6.0, 28.6.1, 28.7.0, 28.7.1, 28.8.0, 28.8.1, 29.0.0, 29.0.1, 30.0.0, 30.1.0, 30.2.0, 30.2.1, 30.3.0, 30.4.0, 31.0.0, 31.0.1, 32.0.0, 32.1.0, 32.1.1, 32.1.2, 32.1.3, 32.2.0, 32.3.0, 32.3.1, 33.1.0, 33.1.1, 34.0.0, 34.0.1, 34.0.2, 34.0.3, 34.1.0, 34.1.1, 34.2.0, 34.3.0, 34.3.1, 34.3.2, 34.3.3, 34.4.0, 34.4.1, 35.0.0, 35.0.1, 35.0.2, 36.0.1, 36.1.0, 36.1.1, 36.2.0, 36.2.1, 36.2.2, 36.2.3, 36.2.4, 36.2.5, 36.2.6, 36.2.7, 36.3.0, 36.4.0, 36.5.0, 36.6.0, 36.6.1, 36.7.0, 36.7.1, 36.7.2, 36.8.0, 37.0.0, 38.0.0, 38.1.0, 38.2.0, 38.2.1, 38.2.3, 38.2.4, 38.2.5, 38.3.0, 38.4.0, 38.4.1, 38.5.0, 38.5.1, 38.5.2, 38.6.0, 38.6.1, 38.7.0, 39.0.0, 39.0.1, 39.1.0, 39.2.0, 40.0.0, 40.1.0, 40.1.1, 40.2.0, 40.3.0, 40.4.0, 40.4.1, 40.4.2, 40.4.3, 40.5.0, 40.6.0, 40.6.1, 40.6.2, 40.6.3, 40.7.0, 40.7.1, 40.7.2, 40.7.3, 40.8.0, 40.9.0, 41.0.0, 41.0.1, 41.1.0, 41.2.0, 41.3.0, 41.4.0, 41.5.0, 41.5.1, 41.6.0, 42.0.0, 42.0.1, 42.0.2, 43.0.0, 44.0.0, 44.1.0, 44.1.1, 45.0.0, 45.1.0, 45.2.0, 45.3.0, 46.0.0, 46.1.0, 46.1.1, 46.1.2, 46.1.3, 46.2.0, 46.3.0, 46.3.1, 46.4.0, 47.0.0, 47.1.0, 47.1.1, 47.2.0, 47.3.0, 47.3.1, 47.3.2, 48.0.0, 49.0.0, 49.0.1, 49.1.0, 49.1.1, 49.1.2, 49.1.3, 49.2.0, 49.2.1, 49.3.0, 49.3.1, 49.3.2, 49.4.0, 49.5.0, 49.6.0, 50.0.0, 50.0.1, 50.0.2, 50.0.3, 50.1.0, 50.2.0, 50.3.0, 50.3.1, 50.3.2, 51.0.0, 51.1.0, 51.1.0.post20201221, 51.1.1, 51.1.2, 51.2.0, 51.3.0, 51.3.1, 51.3.2, 51.3.3, 52.0.0, 53.0.0, 53.1.0, 54.0.0, 54.1.0, 54.1.1, 54.1.2, 54.1.3, 54.2.0, 56.0.0, 56.1.0, 56.2.0, 57.0.0, 57.1.0, 57.2.0, 57.3.0, 57.4.0, 57.5.0, 58.0.0, 58.0.1, 58.0.2, 58.0.3, 58.0.4, 58.1.0, 58.2.0, 58.3.0, 58.4.0, 58.5.0, 58.5.1, 58.5.2, 58.5.3, 59.0.1, 59.1.0, 59.1.1, 59.2.0, 59.3.0, 59.4.0, 59.5.0, 59.6.0)
  ERROR: No matching distribution found for setuptools>=64.0.0
  ----------------------------------------
ERROR: Command errored out with exit status 1: /home/miniconda3/envs/mdaenv/bin/python /home/miniconda3/envs/mdaenv/lib/python3.6/site-packages/pip install --ignore-installed --no-user --prefix /tmp/pip-build-env-95ooj5zd/overlay --no-warn-script-location --no-binary :none: --only-binary :none: -i https://pypi.org/simple -- 'setuptools>=64.0.0' wheel Cython oldest-supported-numpy Check the logs for full command output.
"

Let me know how to best proceed, thanks!

Oliver Beckstein

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Jun 16, 2023, 1:22:55 PM6/16/23
to mdnalysis-discussion
Hello Javier,

Welcome to the MDAnalysis mailing list.


On Jun 13, 2023, at 10:17 AM, 'Javier Sanlley-hernandez' via MDnalysis discussion <mdnalysis-...@googlegroups.com> wrote:

To whom it may concern, 

I am trying to install mdanalysis as detailed in the installation guide, however when i install via conda from a new environment the command line does not go past "resolving envornment"

Could you please copy and paste exactly the commands that you run and the output? Does it fail or just seem to hang?

What is your version of python — run

python --version

Use a modern version of Python, like python==3.10. 

Do you know how to create a conda virtual environment with a custom version of Python?


Alternatively, when installing through pip i get the following error message: 

The output indicates that you are using Python 3.6. This is now VERY old and not supported anymore. I am not surprised that it cannot find a working version. You need to work in a modern Python environment, e.g. python 3.10.

Just ask for help with any of the points above.

Best,
Oliver

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