Commit Graph

10 Commits

Author SHA1 Message Date
a191b6e192 Pin transformers<4.45 to fix EsmModel import at runtime
Chai-1 requires EsmModel from transformers top-level import.
Versions 4.45+ moved it, causing ImportError at runtime.

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
2026-03-16 17:54:19 +01:00
8ca37f1922 Use v2 image tag to force K8s to pull updated image
K8s caches :latest tag. Using :v2 ensures the permission-fixed
image is pulled instead of the cached old one.

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
2026-03-16 17:40:38 +01:00
66e7a03081 Fix permission errors: make chai_lab dirs writable for K8s
K8s runs containers as non-root. Chai-1 tries to download model
weights to /opt/conda/.../downloads which fails with PermissionError.
Set writable dirs and env vars for matplotlib, HF, and chai downloads.

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
2026-03-16 16:06:37 +01:00
7c8629330b Add global docker/process config and fix k8s_gpu profile
- Enable docker globally (required by WES)
- Set default container, memory (32GB), cpus (4) at process level
- Add NVIDIA_VISIBLE_DEVICES env for GPU visibility in k8s_gpu

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
2026-03-16 15:42:33 +01:00
8bb6720fc1 Add k8s and k8s_gpu profiles for WES execution
WES runs Nextflow with -profile k8s_gpu for GPU workloads.
Profiles configure K8s executor, GPU node selector, and
eureka-pvc storage claim for data access.

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
2026-03-16 15:34:52 +01:00
6fd165b619 Fix Dockerfile verification: use generic transformers import check
EsmModel was reorganized in newer transformers versions.

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
2026-03-16 13:58:35 +01:00
895f3c5f75 Pin transformers<5.0 for EsmModel compatibility
Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
2026-03-16 13:39:57 +01:00
5ac0bfc25e Optimize Dockerfile: use pytorch base image to reduce size
Switch from nvidia/cuda base + manual PyTorch install to
pytorch/pytorch:2.6.0-cuda12.4-cudnn9-runtime base image.
This avoids the ~15GB build that exceeds Docker disk limits.

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
2026-03-16 13:24:36 +01:00
7fbabfee39 Update input/output paths to match DRS workspace (s3://omic/eureka/chai1)
Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
2026-03-16 13:09:19 +01:00
f971fd0e21 Initial commit: Chai-1 protein structure prediction pipeline for WES
- Nextflow pipeline using chai1 Docker image from Harbor
- S3-based input/output paths (s3://omic/eureka/chai-lab/)
- GPU-accelerated protein folding with MSA support

Co-Authored-By: Claude Opus 4.6 (1M context) <noreply@anthropic.com>
2026-03-16 12:55:08 +01:00