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RosettaCommons / rosetta

The Rosetta Bio-macromolecule modeling package.
https://www.rosettacommons.org
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Rosetta installation error #190

Open jjz2023 opened 1 week ago

jjz2023 commented 1 week ago

I downloaded rosetta_bin_ubuntu_3.14_bundle.tar.bz2, executed the commend lines and got errors.

tar -xf rosetta_bin_ubuntu_3.14_bundle.tar.bz2 cd rosetta3.14/main/source python3.12 -m pip install scons ./scons.py -j 20 mode=release bin

How to fix the install errors as followings: /home/bin/rosetta3.14/main/source/./scons.py:105: DeprecationWarning: pkg_resources is deprecated as an API. See https://setuptools.pypa.io/en/latest/pkg_resources.html import pkg_resources SCons import failed. Unable to find engine files in: /home/bin/rosetta3.14/main/source/external/scons-local/scons-local-3.0.4 /home/bin/miniconda3/lib/python3.12/site-packages/scons-3.0.4 /home/bin/miniconda3/lib/scons-3.0.4 /home/bin/miniconda3/lib/python3.1/site-packages/scons-3.0.4 /home/bin/miniconda3/lib/scons-3.0.4 /home/bin/miniconda3/lib/python3.12/site-packages/scons /home/bin/miniconda3/lib/scons /home/bin/miniconda3/lib/python3.1/site-packages/scons /home/bin/miniconda3/lib/scons Traceback (most recent call last): File "/home/bin/rosetta3.14/main/source/./scons.py", line 196, in import SCons.Script File "/home/bin/rosetta3.14/main/source/external/scons-local/scons-local-3.0.4/SCons/init.py", line 43, in import SCons.compat File "/home/bin/rosetta3.14/main/source/external/scons-local/scons-local-3.0.4/SCons/compat/init.py", line 64, in import imp # Use the "imp" module to protect imports from fixers. ^^^^^^^^^^ ModuleNotFoundError: No module named 'imp'

roccomoretti commented 6 days ago

First off, the "bin" download should already have a version of Rosetta pre-complied for you (though it would be a ".static.linuxgccrelease" executable name instead of a ".default.linuxgccrelease" or a plain ".linuxgccrelease" -- it should function the same, though.) -- if that version works, you don't need to do the compilation.

You also shouldn't need to install the scons python package -- Rosetta ships with a complete version of Scons.

The issue you're running into when compiling is that the version of SCons which ships with Rosetta 3.14 is not compatible with newer versions of Python. This has since been fixed in the Github/development version of Rosetta. If you still want to compile Rosetta 3.14, you'll need to use a Python version of 3.11 or before. Alternatively, you may be able to use an externally installed recent version of SCons versus the rosetta3.14/main/source/./scons.py script.