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Having a new error. I tried some solutions but didn't work. #1613

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jafarhayat opened this issue Sep 14, 2022 · 1 comment
Open

Having a new error. I tried some solutions but didn't work. #1613

jafarhayat opened this issue Sep 14, 2022 · 1 comment

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@jafarhayat
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Collecting pytraj
Downloading pytraj-2.0.5.tar.gz (20.3 MB)
━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━━ 20.3/20.3 MB 96.9 MB/s eta 0:00:00
Preparing metadata (setup.py): started
Preparing metadata (setup.py): finished with status 'error'
error: subprocess-exited-with-error

× python setup.py egg_info did not run successfully.
│ exit code: 1
╰─> [7 lines of output]
sys.argv ['/tmp/pip-install-qng3mgth/pytraj_733d933ced064c79a175f1547edcae70/setup.py', 'egg_info', '--egg-base', '/tmp/pip-pip-egg-info-lz7n0rw7']
Original compiler envs
CXX =
CC =
COMPILER =
use_pip = True, cpptraj_home =
Detected use of pip; you must set CPPTRAJHOME if there is no cpptraj in the current folder
[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.
WARNING: You are using pip version 22.0.2; however, version 22.2.2 is available.
You should consider upgrading via the '/usr/local/bin/python -m pip install --upgrade pip' command.

@hainm
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hainm commented Sep 16, 2022

Dear @jafarhayat

I am no longer build pytraj binary wheel for pip install anymore.
Please download AmberTools via conda, which already include pytraj.
https://ambermd.org/GetAmber.php#ambertools

Sorry for the inconvenience.

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