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#!/bin/bash
#
# Copyright 2023 The WarpX Community
#
# This file is part of WarpX.
#
# Author: Axel Huebl
# License: BSD-3-Clause-LBNL
# Exit on first error encountered #############################################
#
set -eu -o pipefail
# Check: ######################################################################
#
# Was lassen_v100_warpx.profile sourced and configured correctly?
if [ -z ${proj-} ]; then echo "WARNING: The 'proj' variable is not yet set in your lassen_v100_warpx.profile file! Please edit its line 2 to continue!"; exit 1; fi
# Remove old dependencies #####################################################
#
# remove common user mistakes in python, located in .local instead of a venv
python3 -m pip uninstall -qqq -y torch 2>/dev/null || true
# Python ML ###################################################################
#
# for basic python dependencies, see install_v100_dependencies.sh
# optional: for libEnsemble - WIP: issues with nlopt
# python3 -m pip install -r $HOME/src/warpx/Tools/LibEnsemble/requirements.txt
# optional: for pytorch
if [ -d ${HOME}/src/pytorch ]
then
cd ${HOME}/src/pytorch
git fetch
git checkout .
git checkout v2.0.1
git submodule update --init --recursive
cd -
else
git clone -b v2.0.1 --recurse-submodules https://github.com/pytorch/pytorch.git ${HOME}/src/pytorch
fi
cd ${HOME}/src/pytorch
rm -rf build
# see https://github.com/pytorch/pytorch/issues/97497#issuecomment-1499069641
# https://github.com/pytorch/pytorch/pull/98511
wget -q -O - https://github.com/pytorch/pytorch/pull/98511.patch | git apply
python3 -m pip install -r requirements.txt
# see https://github.com/pytorch/pytorch/issues/108984#issuecomment-1712938737
LDFLAGS="-L${CUDA_HOME}/nvidia/targets/ppc64le-linux/lib/" \
USE_CUDA=1 BLAS=OpenBLAS MAX_JOBS=64 ATEN_AVX512_256=OFF BUILD_TEST=0 python3 setup.py develop
# (optional) If using torch.compile with inductor/triton, install the matching version of triton
#make triton
rm -rf build
cd -
# optional: optimas dependencies (based on libEnsemble & ax->botorch->gpytorch->pytorch)
# commented because scikit-learn et al. compile > 2 hrs
# please run manually on a login node if needed
#python3 -m pip install -r $HOME/src/warpx/Tools/optimas/requirements.txt
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