install: add everything-in-one installation process

install.sh

@@ -0,0 +1,184 @@
+#!/bin/bash
+
+# Constants and variables
+SCRIPT_DIR=$( cd -- "$( dirname -- "${BASH_SOURCE[0]}" )" &> /dev/null && pwd )
+DEFAULT_FLAGS="-DENABLE_LAYOUTS=ON -DENABLE_MEMORY_TRAITS=OFF -DENABLE_VIEW_RANKS=4 -DCMAKE_POLICY_VERSION_MINIMUM=3.5 -DENABLE_THREADS=OFF"
+KOKKOS_ARCHITECTURES="-DKokkos_ENABLE_SERIAL=ON -DKokkos_ENABLE_THREADS=OFF"
+PYKOKKOS_ARCHITECTURES=""
+PARALLEL_LEVEL=1
+CXX_COMPILER=""
+C_COMPILER=""
+
+# Define architecture configurations
+declare -A ARCH_CONFIG=(
+    ["CUDA"]="command -v nvidia-smi &> /dev/null && nvidia-smi &> /dev/null"
+    ["HIP"]="command -v rocm-smi &> /dev/null && rocm-smi &> /dev/null"
+    ["OPENMP"]="echo '#include <omp.h>' | cpp -fopenmp &> /dev/null"
+)
+
+# List of available architectures
+declare -A ARCH_AVAILABLE
+ARCH_AVAILABLE["SERIAL"]=1  # SERIAL is always available
+
+
+# Detect and validate compilers
+function detect_compiler {
+    echo "Detecting C/C++ compilers..."
+
+    local cxx_compilers=("c++" "g++" "clang++")
+    for compiler in "${cxx_compilers[@]}"; do
+        if command -v "$compiler" &> /dev/null; then
+            CXX_COMPILER=$(command -v "$compiler")
+            echo "Found C++ compiler: $CXX_COMPILER"
+            break
+        fi
+    done
+
+    local c_compilers=("cc" "gcc" "clang")
+    for compiler in "${c_compilers[@]}"; do
+        if command -v "$compiler" &> /dev/null; then
+            C_COMPILER=$(command -v "$compiler")
+            echo "Found C compiler: $C_COMPILER"
+            break
+        fi
+    done
+
+    # Exit if either compiler is not found
+    if [ -z "$CXX_COMPILER" ]; then
+        echo "ERROR: No C++ compiler found"
+        exit 1
+    fi
+    if [ -z "$C_COMPILER" ]; then
+        echo "ERROR: No C compiler found"
+        exit 1
+    fi
+}
+
+# Check if conda is available
+function check_conda {
+    if ! command -v conda &> /dev/null; then
+        echo "ERROR: conda not found."
+        dirs -c
+        exit 1
+    fi
+}
+
+# Detect available HPC architecture
+function detect_arch {
+    echo "Detecting available architectures..."
+    echo "SERIAL architecture is enabled by default"
+
+    # Detect each architecture
+    for arch in "${!ARCH_CONFIG[@]}"; do
+        detection_cmd="${ARCH_CONFIG[$arch]}"
+        ARCH_AVAILABLE[$arch]=0
+
+        if [ -n "$detection_cmd" ]; then
+            if eval "$detection_cmd"; then
+                ARCH_AVAILABLE[$arch]=1
+                echo "$arch detected"
+            else
+                echo "$arch not detected"
+            fi
+        fi
+    done
+
+    # THREADS is always disabled to avoid conflicts with OpenMP
+}
+
+# Ask which architecture(s) to enable
+function prompt_arch {
+    echo -e "\nSelect architectures to enable:"
+
+    for arch in "${!ARCH_CONFIG[@]}"; do
+        if [ ${ARCH_AVAILABLE[$arch]:-0} -eq 0 ]; then
+            continue
+        fi
+
+        # Set default based on availability
+        if [ ${ARCH_AVAILABLE[$arch]:-0} -eq 1 ]; then
+            prompt="[Y/n]"
+            default="y"
+        else
+            prompt="[y/N]"
+            default="n"
+        fi
+
+        read -p "Enable $arch support? $prompt: " enable
+        if [[ "$default" = "y" && "$enable" != "n" && "$enable" != "N" ]] || \
+           [[ "$default" = "n" && ("$enable" = "y" || "$enable" = "Y") ]]; then
+            # Both PyKokkos and Kokkos flags for enabled architectures
+            KOKKOS_ARCHITECTURES="$KOKKOS_ARCHITECTURES -DKokkos_ENABLE_${arch}=ON"
+            PYKOKKOS_ARCHITECTURES="$PYKOKKOS_ARCHITECTURES -DENABLE_${arch}=ON"
+        fi
+    done
+
+    echo "Selected architectures: $KOKKOS_ARCHITECTURES"
+}
+
+# Ask user about how many processors should be used during pykokkos build
+function prompt_build_proc {
+    echo "WARNING: Using too many processors for building may slow down your system significantly."
+    echo "Available processors: $(nproc)"
+    read -p "Enter number of processors to use [default: $(nproc)]: " USER_PARALLEL
+
+    PARALLEL_LEVEL=${USER_PARALLEL:-$(nproc)}
+}
+
+# install pykokkos-base
+function install_base {
+    # Clone pykokkos-base and build it
+    mkdir -p "$SCRIPT_DIR"/external
+    pushd external
+    git clone https://github.com/kokkos/pykokkos-base.git
+    pushd pykokkos-base
+
+    # Create the conda environment using the resolved conda command
+    conda create -y --name pyk --file requirements.txt python=3.11
+
+    # Initialize conda in the current shell
+    eval "$(conda shell.bash hook)"
+    conda activate pyk
+
+    echo "=== Build Configuration ==="
+    echo "Default flags: $DEFAULT_FLAGS"
+    echo "PyKokkos architectures: $PYKOKKOS_ARCHITECTURES"
+    echo "Kokkos architectures: $KOKKOS_ARCHITECTURES"
+    echo "Compilers: -DCMAKE_CXX_COMPILER=${CXX_COMPILER} -DCMAKE_C_COMPILER=${C_COMPILER}"
+    echo "Parallel: -DCMAKE_BUILD_PARALLEL_LEVEL=${PARALLEL_LEVEL}"
+    echo "==========================="
+
+    # Split flags into array to avoid quote issues
+    python setup.py install -- \
+        $DEFAULT_FLAGS \
+        $PYKOKKOS_ARCHITECTURES \
+        $KOKKOS_ARCHITECTURES \
+        -DCMAKE_CXX_COMPILER=${CXX_COMPILER} \
+        -DCMAKE_C_COMPILER=${C_COMPILER} \
+        -DCMAKE_BUILD_PARALLEL_LEVEL=${PARALLEL_LEVEL}
+
+}
+function install {
+    install_base
+
+    pushd "$SCRIPT_DIR"
+    conda install -c conda-forge pybind11 cupy patchelf -y
+    pip install --user -e .
+
+    conda deactivate
+    dirs -c
+}
+
+function farewell {
+    echo "PyKokkos successfully installed"
+    echo "Enter 'conda activate pyk' to enable python environment"
+}
+
+# Main execution process
+check_conda
+detect_arch
+detect_compiler
+prompt_arch
+prompt_build_proc
+install || exit 1
+farewell