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Work around distutils issues and improve Fugaku install robustness #4

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4 changes: 4 additions & 0 deletions inference/worker.sh
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Original file line number Diff line number Diff line change
Expand Up @@ -38,6 +38,10 @@ LogDir=${LOGDIR}

. "$ParameterFile"

# Prefer OpenFoldDir if set; otherwise use repo root relative to this script.
PYFIX_DIR="${OpenFoldDir:-$(cd -- "$(dirname -- "${BASH_SOURCE[0]}")/.." &>/dev/null && pwd)}/pyfix"
export PYTHONPATH="${PYFIX_DIR}:${PYTHONPATH:-}"

export LD_PRELOAD=/usr/lib/FJSVtcs/ple/lib64/libpmix.so:$LD_PRELOAD

ulimit -s 16384
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10 changes: 10 additions & 0 deletions making_pyfix.sh
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@@ -0,0 +1,10 @@
#!/bin/sh
set -eu

mkdir -p ./pyfix

cat > ./pyfix/sitecustomize.py <<'PY'
import distutils.version # ensure distutils.version attribute exists
PY

echo "[OK] wrote ./pyfix/sitecustomize.py"
1 change: 1 addition & 0 deletions pyfix/sitecustomize.py
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@@ -0,0 +1 @@
import distutils.version # ensure distutils.version attribute exists
15 changes: 14 additions & 1 deletion scripts/install_fugaku_others.sh
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Expand Up @@ -132,7 +132,20 @@ popd

# mpi4py
#env MPICC=`which mpifcc` pip3 install mpi4py
env MPICFG="fujitsu-mpi" pip3 install mpi4py==3.1.4
#env MPICFG="fujitsu-mpi" pip3 install mpi4py==3.1.4

# mpi4py
#export SETUPTOOLS_USE_DISTUTILS=stdlib
#pip3 install -U "pip<24.1" "setuptools<70" "wheel"
#env MPICFG=fujitsu-mpi MPICC=/opt/FJSVxtclanga/tcsds-1.2.42/bin/mpifcc \
# pip3 install --no-build-isolation mpi4py==3.1.4

# mpi4py
export SETUPTOOLS_USE_DISTUTILS=stdlib
pip3 install -U "pip<24.1" "setuptools<70" "wheel"

env MPICFG="fujitsu-mpi" MPICC="$(which mpifcc)" \
pip3 install --no-build-isolation mpi4py==3.1.4

# OpenFold
pushd $OPENFOLDDIR
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