openmm-cookbook
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Colab notebooks currently broken from upstream dependency
The Colab notebooks are broken untilll this issue in condacolab is fixed: https://github.com/conda-incubator/condacolab/issues/60
Error you get when running in colab is:
No package can be installed for pin: cudatoolkit 12.2.*
# >>>>>>>>>>>>>>>>>>>>>> ERROR REPORT <<<<<<<<<<<<<<<<<<<<<<
Traceback (most recent call last):
File "/usr/local/lib/python3.10/site-packages/conda/exceptions.py", line 1124, in __call__
return func(*args, **kwargs)
File "/usr/local/lib/python3.10/site-packages/mamba/mamba.py", line 941, in exception_converter
raise e
File "/usr/local/lib/python3.10/site-packages/mamba/mamba.py", line 934, in exception_converter
exit_code = _wrapped_main(*args, **kwargs)
File "/usr/local/lib/python3.10/site-packages/mamba/mamba.py", line 892, in _wrapped_main
result = do_call(parsed_args, p)
File "/usr/local/lib/python3.10/site-packages/mamba/mamba.py", line 754, in do_call
exit_code = install(args, parser, "install")
File "/usr/local/lib/python3.10/site-packages/mamba/mamba.py", line 547, in install
solver.add_pin(final_spec)
RuntimeError: No package can be installed for pin: cudatoolkit 12.2.*
`$ /usr/local/bin/mamba install openmm`