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Installing MDRestraints generator #47

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jjmallen opened this issue Oct 21, 2024 · 1 comment
Open

Installing MDRestraints generator #47

jjmallen opened this issue Oct 21, 2024 · 1 comment

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@jjmallen
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Good day,

I am trying to install MDRestraint generator and I am facing this issue (attached below) may you please assist me with resolving it

git clone https://github.com/bigginlab/MDRestraintsGenerator.git
cd MDRestraintsGenerator
pip install .
Cloning into 'MDRestraintsGenerator'...
remote: Enumerating objects: 418, done.
remote: Counting objects: 100% (202/202), done.
remote: Compressing objects: 100% (97/97), done.
remote: Total 418 (delta 95), reused 172 (delta 74), pack-reused 216 (from 1)
Receiving objects: 100% (418/418), 7.36 MiB | 9.95 MiB/s, done.
Resolving deltas: 100% (200/200), done.
DEPRECATION: Loading egg at /opt/anaconda3/lib/python3.11/site-packages/alchemical_analysis-1.0.2.dev0-py3.11.egg is deprecated. pip 24.3 will enforce this behaviour change. A possible replacement is to use pip for package installation. Discussion can be found at pypa/pip#12330
DEPRECATION: Loading egg at /opt/anaconda3/lib/python3.11/site-packages/pymbar-4.0.3-py3.11.egg is deprecated. pip 24.3 will enforce this behaviour change. A possible replacement is to use pip for package installation. Discussion can be found at pypa/pip#12330
Processing /Users/justice/MDRestraintsGenerator
Preparing metadata (setup.py) ... error
error: subprocess-exited-with-error

× python setup.py egg_info did not run successfully.
│ exit code: 1
╰─> [1 lines of output]
ERROR: Can not execute setup.py since setuptools is not available in the build environment.
[end of output]

note: This error originates from a subprocess, and is likely not a problem with pip.
error: metadata-generation-failed

× Encountered error while generating package metadata.
╰─> See above for output.

note: This is an issue with the package mentioned above, not pip.
hint: See above for details.

kind regards,

Justice

@IAlibay
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IAlibay commented Dec 18, 2024

since setuptools is not available in the build environment.

Could you try to do pip install setuptools first?

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