Add initial ALCF Sunspot build recipe.

config/build_alcf_sunspot_icpx.sh

@@ -0,0 +1,94 @@
+#!/bin/bash
+# This recipe is intended for ALCF Sunspot https://www.alcf.anl.gov/support-center/aurora-sunspot
+# last revision: Jan 8th 2023
+#
+# How to invoke this script?
+# build_alcf_sunspot_icpx.sh # build all the variants assuming the current directory is the source directory.
+# build_alcf_sunspot_icpx.sh <source_dir> # build all the variants with a given source directory <source_dir>
+# build_alcf_sunspot_icpx.sh <source_dir> <install_dir> # build all the variants with a given source directory <source_dir> and install to <install_dir>
+
+module load spack libxml2 cmake
+module load cray-hdf5/1.12.2.1
+module load oneapi/eng-compiler/2022.12.30.002
+
+module list >& module_list.txt
+
+# edit this line for your own boost header files.
+export BOOST_ROOT=/home/yeluo/opt/boost_1_80_0
+
+echo "**********************************"
+echo '$ icpx -v'
+icpx -v
+echo "**********************************"
+
+TYPE=Release
+Machine=sunspot
+Compiler=icpx
+
+if [[ $# -eq 0 ]]; then
+  source_folder=`pwd`
+elif [[ $# -eq 1 ]]; then
+  source_folder=$1
+else
+  source_folder=$1
+  install_folder=$2
+fi
+
+if [[ -f $source_folder/CMakeLists.txt ]]; then
+  echo Using QMCPACK source directory $source_folder
+else
+  echo "Source directory $source_folder doesn't contain CMakeLists.txt. Pass QMCPACK source directory as the first argument."
+  exit
+fi
+
+for name in offload_sycl_real_MP offload_sycl_real offload_sycl_cplx_MP offload_sycl_cplx \
+            cpu_real_MP cpu_real cpu_cplx_MP cpu_cplx
+do
+
+CMAKE_FLAGS="-DCMAKE_BUILD_TYPE=$TYPE"
+
+if [[ $name == *"cplx"* ]]; then
+  CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_COMPLEX=ON"
+fi
+
+if [[ $name == *"_MP"* ]]; then
+  CMAKE_FLAGS="$CMAKE_FLAGS -DQMC_MIXED_PRECISION=ON"
+fi
+
+if [[ $name == *"offload"* ]]; then
+  CMAKE_FLAGS="$CMAKE_FLAGS -DENABLE_OFFLOAD=ON"
+fi
+
+if [[ $name == *"sycl"* ]]; then
+  CMAKE_FLAGS="$CMAKE_FLAGS -DENABLE_SYCL=ON"
+fi
+
+folder=build_${Machine}_${Compiler}_${name}
+
+if [[ -v install_folder ]]; then
+  CMAKE_FLAGS="$CMAKE_FLAGS -DCMAKE_INSTALL_PREFIX=$install_folder/$folder"
+fi
+
+echo "**********************************"
+echo "$folder"
+echo "$CMAKE_FLAGS"
+echo "**********************************"
+
+mkdir $folder
+cd $folder
+
+if [ ! -f CMakeCache.txt ] ; then
+cmake $CMAKE_FLAGS  -DCMAKE_CXX_FLAGS="-mllvm -vpo-paropt-atomic-free-reduction-slm=true" \
+      -DCMAKE_C_COMPILER=mpicc -DCMAKE_CXX_COMPILER=mpicxx $source_folder
+fi
+
+if [[ -v install_folder ]]; then
+  make -j16 install && chmod -R -w $install_folder/$folder
+else
+  make -j16
+fi
+
+cd ..
+
+echo
+done