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Use conda-forge's kalign-python #221

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Merged
jnwei merged 5 commits into from
May 13, 2026
+22,143 −22,150
Merged

Use conda-forge's kalign-python #221

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e738676
Use conda-forge's kalign-python
sdvillal May 11, 2026
57c32f3
Bump minimum pixi requirement
sdvillal May 12, 2026
02ace0d
Pin rdkit until we investigate test failure
sdvillal May 12, 2026
6a20fe5
Update pixi lockfile
sdvillal May 12, 2026
8b10754
update default pixi version in Dockerfile.pixi
jnwei May 13, 2026
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6 changes: 3 additions & 3 deletions docker/Dockerfile.pixi
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Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,7 @@
#
# Build args:
# BASE_IMAGE - Base Docker image (default: ubuntu:22.04)
# PIXI_VERSION - Pixi version to install (default: v0.65.0)
# PIXI_VERSION - Pixi version to install (default: v0.68.0)
# PIXI_ENV - Pixi environment name (default: openfold3-cuda12)
#
# Example:
Expand All @@ -17,7 +17,7 @@ ARG BASE_IMAGE=ubuntu:22.04
# === Builder stage: install pixi and resolve environment ===
FROM ${BASE_IMAGE} AS builder

ARG PIXI_VERSION=v0.65.0
ARG PIXI_VERSION=v0.68.0
ARG PIXI_ENV=openfold3-cuda12

# Install minimal system dependencies
Expand Down Expand Up @@ -54,7 +54,7 @@ RUN CUDA_FEATURE=$(echo "${PIXI_ENV}" | grep -oP 'cuda\d+') && \
# === Devel stage: lean runtime image with pixi activation ===
FROM ${BASE_IMAGE} AS devel

ARG PIXI_VERSION=v0.65.0
ARG PIXI_VERSION=v0.68.0
ARG PIXI_ENV=openfold3-cuda12

# Install runtime system dependencies
Expand Down
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