Description
Hi ! Thank you for providing a v2 of this great tool!
I was trying to build the docker image on an Linux VM running on a Silicon M1 chip (aarch64).
So first I modified the Dockerfile to adapt for the good Miniforge3 version (and also pivot from the now deprecated pypy)
But then the environment.yml file does not seem to map correctly to the requested packages?
Have you ever built the image on an aarch64 architecture ?
Thank you for your help !
=> ERROR [ 7/18] RUN mamba env create -f /environment.yml 11.8s
[ 7/18] RUN mamba env create -f /environment.yml:
0.442 Channels:
0.442 - conda-forge
0.442 - salilab
0.442 - bioconda
0.442 Platform: linux-aarch64
0.442 Collecting package metadata (repodata.json): ...working... done
10.71 Solving environment: ...working... failed
11.67
11.67 LibMambaUnsatisfiableError: Encountered problems while solving:
11.67 - nothing provides requested pymol-open-source
11.67 - nothing provides requested modeller
11.67 - nothing provides requested mgltools
11.67 - nothing provides ambertools >=20.0,<23 needed by openmmforcefields-0.10.0-pyhd8ed1ab_0
11.67
11.67 Could not solve for environment specs
11.67 The following packages are incompatible
11.67 ├─ mgltools does not exist (perhaps a typo or a missing channel);
11.67 ├─ modeller does not exist (perhaps a typo or a missing channel);
11.67 ├─ openmmforcefields is not installable because there are no viable options
11.67 │ ├─ openmmforcefields [0.10.0|0.11.0|...|0.9.0] would require
11.67 │ │ └─ ambertools >=20.0,<23 , which does not exist (perhaps a missing channel);
11.67 │ └─ openmmforcefields [0.13.0|0.14.0|0.14.1] would require
11.67 │ └─ ambertools >=22,<24 , which does not exist (perhaps a missing channel);
11.67 └─ pymol-open-source does not exist (perhaps a typo or a missing channel).
11.67
Dockerfile:44
42 | # environment.yml has pdbfixer, numpy, mdtraj and openmm
43 | COPY ./Docker_image/environment.yml /environment.yml
44 | >>> RUN mamba env create -f /environment.yml
45 | RUN echo "source activate apegen" >> ~/.bashrc
46 | ENV PATH "/mamba/envs/apegen/bin:$PATH"
ERROR: failed to solve: process "/bin/sh -c mamba env create -f /environment.yml" did not complete successfully: exit code: 1
exit status 1