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2 changes: 1 addition & 1 deletion agents/esm-embed/tools/esm-embed/Dockerfile
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Expand Up @@ -4,7 +4,7 @@
#
# Base: NVIDIA CUDA 12.1 runtime on Ubuntu 22.04 (matches PyTorch 2.3 cu121 wheels).

FROM nvidia/cuda:13.4.2-runtime-ubuntu22.04
FROM nvidia/cuda:13.4.3-runtime-ubuntu22.04

ENV PYTHONUNBUFFERED=1 \
PYTHONDONTWRITEBYTECODE=1 \
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# Both bases are pinned to their linux/amd64 manifests; build with --platform linux/amd64.
FROM node:22.22.0-bookworm-slim@sha256:7cc56ef285a8568121537d17b05e72128f01b89c54607b51acf084a50ef483f3 AS node-runtime

FROM python:3.12.14-slim@sha256:2fe5997d249a808b8eeea52c58a1dbffbba28754dc11699ef5c029f2d818ce79
FROM python:3.14.7-slim@sha256:51dafde81dbdb6ebde285137a295cf18a47ca95234fe388a343719cb97305b3d

LABEL org.opencontainers.image.title="FlowBlind prepare study v2"
LABEL org.opencontainers.image.version="2.0.0"
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# Both bases are pinned to their linux/amd64 manifests; build with --platform linux/amd64.
FROM node:22.22.0-bookworm-slim@sha256:7cc56ef285a8568121537d17b05e72128f01b89c54607b51acf084a50ef483f3 AS node-runtime

FROM python:3.12.14-slim@sha256:2fe5997d249a808b8eeea52c58a1dbffbba28754dc11699ef5c029f2d818ce79
FROM python:3.14.7-slim@sha256:51dafde81dbdb6ebde285137a295cf18a47ca95234fe388a343719cb97305b3d

LABEL org.opencontainers.image.title="FlowBlind run and verify study v2"
LABEL org.opencontainers.image.version="2.0.0"
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4 changes: 2 additions & 2 deletions agents/gromacs/tools/gromacs/Dockerfile
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# ============================================================================
# Stage 1: Builder - Build GROMACS with CUDA support
# ============================================================================
FROM nvidia/cuda:13.4.2-devel-ubuntu22.04 AS builder
FROM nvidia/cuda:13.4.3-devel-ubuntu22.04 AS builder

# GROMACS with GPU support - automatically falls back to CPU when no GPU present
# Compatible with NVIDIA A100 (SM 8.0) and H100 (SM 9.0) GPUs, and CPU-only environments
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# ============================================================================
# Stage 2: Runtime - Minimal image with only runtime dependencies
# ============================================================================
FROM nvidia/cuda:13.4.2-devel-ubuntu22.04 AS runtime
FROM nvidia/cuda:13.4.3-devel-ubuntu22.04 AS runtime

ENV DEBIAN_FRONTEND=noninteractive
ENV APPS=/opt/apps
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