diff --git a/Dockerfile b/Dockerfile index c3847ad..a51f865 100644 --- a/Dockerfile +++ b/Dockerfile @@ -113,10 +113,13 @@ COPY --from=diffuseproject/sampleworks-checkpoints:latest /checkpoints/ /checkpo # ============================================================================ # Install all three environments: boltz, protenix, rf3 # ============================================================================ -# Split into separate layers so changing one env doesn't invalidate the others -RUN pixi install -e boltz --frozen -RUN pixi install -e protenix --frozen -RUN pixi install -e rf3 --frozen +# IMPORTANT: Must be a single RUN — separate RUNs create overlay layers that +# duplicate shared conda packages (numpy, CUDA libs, etc.), using ~37 GB vs +# ~14 GB in a single layer. This difference causes disk-full failures on +# smaller CI runners (ubuntu-latest can be 72 GB or 145 GB). +RUN pixi install -e boltz --frozen && \ + pixi install -e protenix --frozen && \ + pixi install -e rf3 --frozen # ============================================================================ # Pre-compile CUDA extensions to avoid JIT compilation at runtime