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Merge branch 'relion5-mc-fix' into 'master'

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Set MotionCor2 path based on the loaded cuda version.

Closes #275

See merge request Pmodules/buildblocks!432
This commit is contained in:
assman_g
2024-04-03 16:25:12 +02:00
parent d9b6163076 190c57cf82
commit 18454b7782
1 changed files with 19 additions and 1 deletions
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20
EM/relion/modulefile
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@@ -46,4 +46,22 @@ setenv RELION_PYTHON_EXECUTABLE /opt/psi/EM/relion/5.0-sp/conda_env/5.0-beta/bin
setenv RELION_TORCH_HOME_PATH /opt/psi/EM/relion/5.0-sp/torch
# Version-specific variables
setenv RELION_QSUB_TEMPLATE /opt/psi/EM/relion/$V/scripts/multi_gpu.sh
setenv RELION_MOTIONCOR2_EXECUTABLE /opt/psi/EM/MotionCor2/1.4.0/bin/MotionCor2
# See MC2 compatibility matrix: https://intranet.psi.ch/en/bio/motioncor2
if {[string match "8.0*" $env(CUDA_VERSION)]} {
setenv RELION_MOTIONCOR2_EXECUTABLE "/opt/psi/EM/MotionCor2/1.3.2/bin/MotionCor2_1.3.2-Cuda80"
} elseif {[string match "11.0*" $env(CUDA_VERSION)]} {
setenv RELION_MOTIONCOR2_EXECUTABLE "/opt/psi/EM/MotionCor2/1.4.0/bin/MotionCor2"
} else {
setenv RELION_MOTIONCOR2_EXECUTABLE "/opt/psi/EM/MotionCor2/1.6.4/bin/MotionCor2"
}
# relion 5 features
if {[file exists /opt/psi/EM/relion/$V/conda_env/$V]} {
setenv RELION_TOPAZ_EXECUTABLE /opt/psi/EM/relion/$V/conda_env/$V/bin/topaz
setenv RELION_PYTHON_EXECUTABLE /opt/psi/EM/relion/$V/conda_env/$V/bin/python
}
if {[file exists /opt/psi/EM/relion/$V/torch]} {
setenv RELION_TORCH_HOME_PATH /opt/psi/EM/relion/$V/torch
}