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Add version check #32

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Add version check #32

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@nbtm-sh nbtm-sh commented Apr 23, 2025

Check versions before starting the pipeline

@@ -8,6 +8,10 @@ PROJECT_ROOT=${PROJECT_ROOT:-/srv/scratch/sbf-pipelines/proteinfold}
set -x pipefail
set -e

# Set dependency version numbers
VERSION_SAMPLESHEET_UTILS="1.1.2"
VERISON_PROTEINFOLD_HASH="fd01013a6109300c917e12356bce0d2297ed1a0e"
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We should probably lock after 2306cd9 to avoid re-introducing the cif symlink problem

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Minor typo, otherwise LGTM.

@@ -8,6 +8,10 @@ PROJECT_ROOT=${PROJECT_ROOT:-/srv/scratch/sbf-pipelines/proteinfold}
set -x pipefail
set -e

# Set dependency version numbers
VERSION_SAMPLESHEET_UTILS="1.1.2"
VERISON_PROTEINFOLD_HASH="fd01013a6109300c917e12356bce0d2297ed1a0e"
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Suggested change
VERISON_PROTEINFOLD_HASH="fd01013a6109300c917e12356bce0d2297ed1a0e"
VERSION_PROTEINFOLD_HASH="fd01013a6109300c917e12356bce0d2297ed1a0e"

#$tmp_prev_wd=$(pwd)
#cd "${PROJECT_ROOT}/${RUN_ENVIRONMENT}"
#LOCAL_PROTEINFOLD_HASH="git rev-parse HEAD"
#if [ "${LOCAL_PROTEINFOLD_VERSION}" != "${VERISON_PROTEINFOLD_HASH}"]; then
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Suggested change
#if [ "${LOCAL_PROTEINFOLD_VERSION}" != "${VERISON_PROTEINFOLD_HASH}"]; then
#if [ "${LOCAL_PROTEINFOLD_VERSION}" != "${VERSION_PROTEINFOLD_HASH}"]; then

@@ -98,7 +127,7 @@ ARGS=""

module load cuda/10.1.243 cuda/11.8.0 cuda/12.2.1 cuda/12.5.0 cudnn/8.4.0.27-11.6 cudnn/8.6.0.163-11.8 cudnn/9.2.0.82-12 cudnn/9.3.0.75-12

nextflow -c "/srv/scratch/sbf-pipelines/proteinfold/kod_proteinfold.config" run main.nf \
nextflow -c "/srv/scratch/sbf-pipelines/proteinfold/kod_proteinfold.config" run Australian-Structural-Biology-Computing/proteinfold -r ${VERISON_PROTEINFOLD_HASH} \
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Suggested change
nextflow -c "/srv/scratch/sbf-pipelines/proteinfold/kod_proteinfold.config" run Australian-Structural-Biology-Computing/proteinfold -r ${VERISON_PROTEINFOLD_HASH} \
nextflow -c "/srv/scratch/sbf-pipelines/proteinfold/kod_proteinfold.config" run Australian-Structural-Biology-Computing/proteinfold -r ${VERSION_PROTEINFOLD_HASH} \

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3 participants