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https://github.com/RosettaCommons/foundry.git
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5a492032d5
* Initial commit of chiral changes Initial checkin of chiral feature code Add chiral metric * Update the way chiral features are incorporated into the model Move initialization to new func use default pytorch reset parameters fix initialization for chirals config rename argument of confidence head fix initialization for chirals * refactor: src nest, rename rf2aa to modelhub * refactor: initial commit without projects * Initial commit of chiral changes * Initial checkin of chiral feature code * Add chiral metric * Remove option for double residual connection. Add kq_norm oiptions to base (20250125) config. * Restoring flag * config * rename argument of confidence head * Update the way chiral features are incorporated into the model * config * rename argument of confidence head * Update the way chiral features are incorporated into the model * Initial commit of chiral changes Initial checkin of chiral feature code Add chiral metric * Update the way chiral features are incorporated into the model Move initialization to new func use default pytorch reset parameters fix initialization for chirals config rename argument of confidence head fix initialization for chirals * refactor: new modelhub --------- Co-authored-by: fdimaio <dimaio@uw.edu> Co-authored-by: HaotianZhangAI4Science <haotianzhang@zju.edu.cn>
50 lines
1.7 KiB
Bash
Executable File
50 lines
1.7 KiB
Bash
Executable File
#!/bin/bash
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# This script freezes CIFUtils, Datahub, and Modelhub versions within an existing apptainer.
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set -e # Exit on error
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echo "Running from $PWD"
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SCRIPT_PATH=$(realpath $0)
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SCRIPT_DIR=$(dirname $SCRIPT_PATH)
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# Check if apptainer/singularity is available
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APPTAINER_BINARY=$(command -v apptainer || command -v singularity)
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if [ -z "$APPTAINER_BINARY" ]; then
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echo "Error: Neither apptainer nor singularity found in PATH"
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exit 1
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fi
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echo "Using apptainer at: $APPTAINER_BINARY"
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# This is the default apptainer that you can build from 'make apptainer'
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echo "... looking for a local apptainer image at '$SCRIPT_DIR/modelhub.sif'"
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SIF_PATH="$SCRIPT_DIR/modelhub.sif"
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SIF_PATH=$(readlink -f "$SCRIPT_DIR/modelhub.sif" )
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echo "Base SIF path to build from: $SIF_PATH"
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# Generate the image name with today's date
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DATE=$(date +%Y-%m-%d)
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IMAGE_NAME="frozen_modelhub_${DATE}.sif"
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echo "Building apptainer from image with frozen dependencies: $IMAGE_NAME"
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# Check if INSTALL_PROJECT is set to true and set the image name accordingly
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if ${INSTALL_PROJECT}; then
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echo "Modelhub WILL be installed in the apptainer! Ensure that this is intentional."
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IMAGE_NAME="frozen_modelhub_datahub_cifutils_${DATE}.sif"
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else
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IMAGE_NAME="frozen_datahub_cifutils_${DATE}.sif"
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fi
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# Build Phase
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echo
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echo "=== Starting Build Phase ==="
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echo "Running: $APPTAINER_BINARY build --notest '$IMAGE_NAME' freeze_apptainer.spec"
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echo "----------------------------------------"
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INSTALL_PROJECT=$INSTALL_PROJECT $APPTAINER_BINARY build \
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--nv \
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--notest \
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"$IMAGE_NAME" freeze_apptainer.spec
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echo "----------------------------------------"
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echo
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echo "=== Build Complete ==="
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echo "Container is available at: $PWD/$IMAGE_NAME" |