Unable to install boltz - please help
Hello, I am a new user and trying to use boltz on my iMac (Tahoe OS) and get the error below. Any suggestions? Thanks, Aneel Successfully created Boltz Python virtual environment /Users/aneel/boltz22. Now installing Boltz and required packages from PyPi. This may take tens of of minutes since Boltz uses many other packages totaling about 1 Gbyte of disk space including torch, scipy, rdkit, llvmlite, sympy, pandas, numpy, wandb, numba... /Users/aneel/boltz22/bin/python -m pip install https://github.com/RBVI/boltz/archive/chimerax_boltz22.zip Collecting https://github.com/RBVI/boltz/archive/chimerax_boltz22.zip Using cached https://github.com/RBVI/boltz/archive/chimerax_boltz22.zip Installing build dependencies: started Installing build dependencies: finished with status 'done' Getting requirements to build wheel: started Getting requirements to build wheel: finished with status 'done' Preparing metadata (pyproject.toml): started Preparing metadata (pyproject.toml): finished with status 'done' INFO: pip is looking at multiple versions of boltz to determine which version is compatible with other requirements. This could take a while. ERROR: Could not find a version that satisfies the requirement torch==2.7.1 (from boltz) (from versions: 2.0.0, 2.0.1, 2.1.0, 2.1.1, 2.1.2, 2.2.0, 2.2.1, 2.2.2) ERROR: No matching distribution found for torch==2.7.1 [notice] A new release of pip is available: 24.0 -> 25.3 [notice] To update, run: /Users/aneel/boltz22/bin/python -m pip install --upgrade pip Boltz installation failed. See ChimeraX Log for details
Hi Aneel, DId you try what it told you to do in the error message? ... namely:
[notice] A new release of pip is available: 24.0 -> 25.3
[notice] To update, run: /Users/aneel/boltz22/bin/python -m pip install --upgrade pip
I hope this helps, Elaine ----- Elaine C. Meng, Ph.D. UCSF Chimera(X) team Resource for Biocomputing, Visualization, and Informatics Department of Pharmaceutical Chemistry University of California, San Francisco
On Nov 25, 2025, at 11:50 AM, Aggarwal, Aneel via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Hello,
I am a new user and trying to use boltz on my iMac (Tahoe OS) and get the error below. Any suggestions?
Thanks, Aneel
Successfully created Boltz Python virtual environment /Users/aneel/boltz22. Now installing Boltz and required packages from PyPi. This may take tens of of minutes since Boltz uses many other packages totaling about 1 Gbyte of disk space including torch, scipy, rdkit, llvmlite, sympy, pandas, numpy, wandb, numba... /Users/aneel/boltz22/bin/python -m pip install https://github.com/RBVI/boltz/archive/chimerax_boltz22.zip Collecting https://github.com/RBVI/boltz/archive/chimerax_boltz22.zip
Using cached https://github.com/RBVI/boltz/archive/chimerax_boltz22.zip
Installing build dependencies: started
Installing build dependencies: finished with status 'done'
Getting requirements to build wheel: started
Getting requirements to build wheel: finished with status 'done'
Preparing metadata (pyproject.toml): started
Preparing metadata (pyproject.toml): finished with status 'done'
INFO: pip is looking at multiple versions of boltz to determine which version is compatible with other requirements. This could take a while.
ERROR: Could not find a version that satisfies the requirement torch==2.7.1 (from boltz) (from versions: 2.0.0, 2.0.1, 2.1.0, 2.1.1, 2.1.2, 2.2.0, 2.2.1, 2.2.2)
ERROR: No matching distribution found for torch==2.7.1
[notice] A new release of pip is available: 24.0 -> 25.3
[notice] To update, run: /Users/aneel/boltz22/bin/python -m pip install --upgrade pip
Boltz installation failed. See ChimeraX Log for details _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/
Hi Aneel, Are you using an Intel Mac? Unfortunately the machine learning PyTorch package that Boltz uses stopped supporting Intel Macs so it will only run on Apple Silicon Macs (ARM M1,M2,M3,M4,... processors). I'll add an error message to Mac ChimeraX to explain that Boltz cannot be installed on Intel Mac. Tom
On Nov 25, 2025, at 11:50 AM, Aggarwal, Aneel via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Hello,
I am a new user and trying to use boltz on my iMac (Tahoe OS) and get the error below. Any suggestions?
Thanks, Aneel
Successfully created Boltz Python virtual environment /Users/aneel/boltz22. Now installing Boltz and required packages from PyPi. This may take tens of of minutes since Boltz uses many other packages totaling about 1 Gbyte of disk space including torch, scipy, rdkit, llvmlite, sympy, pandas, numpy, wandb, numba... /Users/aneel/boltz22/bin/python -m pip install https://github.com/RBVI/boltz/archive/chimerax_boltz22.zip Collecting https://github.com/RBVI/boltz/archive/chimerax_boltz22.zip
Using cached https://github.com/RBVI/boltz/archive/chimerax_boltz22.zip
Installing build dependencies: started
Installing build dependencies: finished with status 'done'
Getting requirements to build wheel: started
Getting requirements to build wheel: finished with status 'done'
Preparing metadata (pyproject.toml): started
Preparing metadata (pyproject.toml): finished with status 'done'
INFO: pip is looking at multiple versions of boltz to determine which version is compatible with other requirements. This could take a while.
ERROR: Could not find a version that satisfies the requirement torch==2.7.1 (from boltz) (from versions: 2.0.0, 2.0.1, 2.1.0, 2.1.1, 2.1.2, 2.2.0, 2.2.1, 2.2.2)
ERROR: No matching distribution found for torch==2.7.1
[notice] A new release of pip is available: 24.0 -> 25.3
[notice] To update, run: /Users/aneel/boltz22/bin/python -m pip install --upgrade pip
Boltz installation failed. See ChimeraX Log for details _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu Archives: https://mail.cgl.ucsf.edu/mailman/archives/list/chimerax-users@cgl.ucsf.edu/
Thanks Tom- I suspected that might be the problem (processor 3.6 GHz 10-Core Intel Core i9). I guess time to upgrade. Thanks again, Aneel ________________________________________ From: Tom Goddard <goddard@sonic.net> Sent: Tuesday, November 25, 2025 3:19 PM To: Aggarwal, Aneel Cc: chimerax-users@cgl.ucsf.edu Subject: Re: [chimerax-users] Unable to install boltz - please help USE CAUTION: External Message. Hi Aneel, Are you using an Intel Mac? Unfortunately the machine learning PyTorch package that Boltz uses stopped supporting Intel Macs so it will only run on Apple Silicon Macs (ARM M1,M2,M3,M4,... processors). I'll add an error message to Mac ChimeraX to explain that Boltz cannot be installed on Intel Mac. Tom
On Nov 25, 2025, at 11:50 AM, Aggarwal, Aneel via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Hello,
I am a new user and trying to use boltz on my iMac (Tahoe OS) and get the error below. Any suggestions?
Thanks, Aneel
Successfully created Boltz Python virtual environment /Users/aneel/boltz22. Now installing Boltz and required packages from PyPi. This may take tens of of minutes since Boltz uses many other packages totaling about 1 Gbyte of disk space including torch, scipy, rdkit, llvmlite, sympy, pandas, numpy, wandb, numba... /Users/aneel/boltz22/bin/python -m pip install https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_RBVI_boltz_a... Collecting https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_RBVI_boltz_a...
Using cached https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_RBVI_boltz_a...
Installing build dependencies: started
Installing build dependencies: finished with status 'done'
Getting requirements to build wheel: started
Getting requirements to build wheel: finished with status 'done'
Preparing metadata (pyproject.toml): started
Preparing metadata (pyproject.toml): finished with status 'done'
INFO: pip is looking at multiple versions of boltz to determine which version is compatible with other requirements. This could take a while.
ERROR: Could not find a version that satisfies the requirement torch==2.7.1 (from boltz) (from versions: 2.0.0, 2.0.1, 2.1.0, 2.1.1, 2.1.2, 2.2.0, 2.2.1, 2.2.2)
ERROR: No matching distribution found for torch==2.7.1
[notice] A new release of pip is available: 24.0 -> 25.3
[notice] To update, run: /Users/aneel/boltz22/bin/python -m pip install --upgrade pip
Boltz installation failed. See ChimeraX Log for details _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu Archives: https://urldefense.proofpoint.com/v2/url?u=https-3A__mail.cgl.ucsf.edu_mailm...
Hi Aneel, Technically Boltz can run with the quite old Torch 2.2.2 which is available for Intel Mac. Torch does not support GPU acceleration on Intel Macs so it will be incredibly slow. But you could in theory run CPU predictions. This is a bit tricky to setup since ChimeraX uses a special versions of Boltz (https://github.com/RBVI/boltz) that requires torch 2.7.1 so you would have to clone that repository, change the requirement in pyproject.toml to 2.2.2 and create and install in a Python virtual environment for use by ChimeraX. Tom
On Nov 25, 2025, at 12:26 PM, Aggarwal, Aneel <aneel.aggarwal@mssm.edu> wrote:
Thanks Tom-
I suspected that might be the problem (processor 3.6 GHz 10-Core Intel Core i9). I guess time to upgrade.
Thanks again, Aneel
________________________________________ From: Tom Goddard <goddard@sonic.net <mailto:goddard@sonic.net>> Sent: Tuesday, November 25, 2025 3:19 PM To: Aggarwal, Aneel Cc: chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu> Subject: Re: [chimerax-users] Unable to install boltz - please help
USE CAUTION: External Message.
Hi Aneel,
Are you using an Intel Mac? Unfortunately the machine learning PyTorch package that Boltz uses stopped supporting Intel Macs so it will only run on Apple Silicon Macs (ARM M1,M2,M3,M4,... processors).
I'll add an error message to Mac ChimeraX to explain that Boltz cannot be installed on Intel Mac.
Tom
On Nov 25, 2025, at 11:50 AM, Aggarwal, Aneel via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote:
Hello,
I am a new user and trying to use boltz on my iMac (Tahoe OS) and get the error below. Any suggestions?
Thanks, Aneel
Successfully created Boltz Python virtual environment /Users/aneel/boltz22. Now installing Boltz and required packages from PyPi. This may take tens of of minutes since Boltz uses many other packages totaling about 1 Gbyte of disk space including torch, scipy, rdkit, llvmlite, sympy, pandas, numpy, wandb, numba... /Users/aneel/boltz22/bin/python -m pip install https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_RBVI_boltz_a... Collecting https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_RBVI_boltz_a...
Using cached https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_RBVI_boltz_a...
Installing build dependencies: started
Installing build dependencies: finished with status 'done'
Getting requirements to build wheel: started
Getting requirements to build wheel: finished with status 'done'
Preparing metadata (pyproject.toml): started
Preparing metadata (pyproject.toml): finished with status 'done'
INFO: pip is looking at multiple versions of boltz to determine which version is compatible with other requirements. This could take a while.
ERROR: Could not find a version that satisfies the requirement torch==2.7.1 (from boltz) (from versions: 2.0.0, 2.0.1, 2.1.0, 2.1.1, 2.1.2, 2.2.0, 2.2.1, 2.2.2)
ERROR: No matching distribution found for torch==2.7.1
[notice] A new release of pip is available: 24.0 -> 25.3
[notice] To update, run: /Users/aneel/boltz22/bin/python -m pip install --upgrade pip
Boltz installation failed. See ChimeraX Log for details _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu <mailto:chimerax-users@cgl.ucsf.edu> To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu <mailto:chimerax-users-leave@cgl.ucsf.edu> Archives: https://urldefense.proofpoint.com/v2/url?u=https-3A__mail.cgl.ucsf.edu_mailm...
Thanks Tom. This is very helpful and will give it a try. Best, Aneel ________________________________________ From: Tom Goddard <goddard@sonic.net> Sent: Tuesday, November 25, 2025 3:52 PM To: Aggarwal, Aneel Cc: chimerax-users@cgl.ucsf.edu Subject: Re: [chimerax-users] Unable to install boltz - please help Hi Aneel, Technically Boltz can run with the quite old Torch 2.2.2 which is available for Intel Mac. Torch does not support GPU acceleration on Intel Macs so it will be incredibly slow. But you could in theory run CPU predictions. This is a bit tricky to setup since ChimeraX uses a special versions of Boltz (https://github.com/RBVI/boltz<https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_RBVI_boltz&d=DwMFaQ&c=shNJtf5dKgNcPZ6Yh64b-ALLUrcfR-4CCQkZVKC8w3o&r=LWhUW6RvNSf0cLDVthUN3r_hd5b5U0qKDrBXQQX78vo&m=J6sgEXO8HKW3PLks1Pj4p5iAUa7FVBt1Pc9RIwogqO51D36IqGxY6JzDTt1Kf5IB&s=EizD2u8kn5P-iE-m3gXEEyT4uHF0aQcOSLg8Ntmenr8&e=>) that requires torch 2.7.1 so you would have to clone that repository, change the requirement in pyproject.toml to 2.2.2 and create and install in a Python virtual environment for use by ChimeraX. Tom On Nov 25, 2025, at 12:26 PM, Aggarwal, Aneel <aneel.aggarwal@mssm.edu> wrote: Thanks Tom- I suspected that might be the problem (processor 3.6 GHz 10-Core Intel Core i9). I guess time to upgrade. Thanks again, Aneel ________________________________________ From: Tom Goddard <goddard@sonic.net<mailto:goddard@sonic.net>> Sent: Tuesday, November 25, 2025 3:19 PM To: Aggarwal, Aneel Cc: chimerax-users@cgl.ucsf.edu<mailto:chimerax-users@cgl.ucsf.edu> Subject: Re: [chimerax-users] Unable to install boltz - please help USE CAUTION: External Message. Hi Aneel, Are you using an Intel Mac? Unfortunately the machine learning PyTorch package that Boltz uses stopped supporting Intel Macs so it will only run on Apple Silicon Macs (ARM M1,M2,M3,M4,... processors). I'll add an error message to Mac ChimeraX to explain that Boltz cannot be installed on Intel Mac. Tom On Nov 25, 2025, at 11:50 AM, Aggarwal, Aneel via ChimeraX-users <chimerax-users@cgl.ucsf.edu> wrote: Hello, I am a new user and trying to use boltz on my iMac (Tahoe OS) and get the error below. Any suggestions? Thanks, Aneel Successfully created Boltz Python virtual environment /Users/aneel/boltz22. Now installing Boltz and required packages from PyPi. This may take tens of of minutes since Boltz uses many other packages totaling about 1 Gbyte of disk space including torch, scipy, rdkit, llvmlite, sympy, pandas, numpy, wandb, numba... /Users/aneel/boltz22/bin/python -m pip install https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_RBVI_boltz_a... Collecting https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_RBVI_boltz_a... Using cached https://urldefense.proofpoint.com/v2/url?u=https-3A__github.com_RBVI_boltz_a... Installing build dependencies: started Installing build dependencies: finished with status 'done' Getting requirements to build wheel: started Getting requirements to build wheel: finished with status 'done' Preparing metadata (pyproject.toml): started Preparing metadata (pyproject.toml): finished with status 'done' INFO: pip is looking at multiple versions of boltz to determine which version is compatible with other requirements. This could take a while. ERROR: Could not find a version that satisfies the requirement torch==2.7.1 (from boltz) (from versions: 2.0.0, 2.0.1, 2.1.0, 2.1.1, 2.1.2, 2.2.0, 2.2.1, 2.2.2) ERROR: No matching distribution found for torch==2.7.1 [notice] A new release of pip is available: 24.0 -> 25.3 [notice] To update, run: /Users/aneel/boltz22/bin/python -m pip install --upgrade pip Boltz installation failed. See ChimeraX Log for details _______________________________________________ ChimeraX-users mailing list -- chimerax-users@cgl.ucsf.edu<mailto:chimerax-users@cgl.ucsf.edu> To unsubscribe send an email to chimerax-users-leave@cgl.ucsf.edu<mailto:chimerax-users-leave@cgl.ucsf.edu> Archives: https://urldefense.proofpoint.com/v2/url?u=https-3A__mail.cgl.ucsf.edu_mailm...
participants (3)
-
Aggarwal, Aneel -
Elaine Meng -
Tom Goddard