113 lines
3.3 KiB
Bash
113 lines
3.3 KiB
Bash
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#!/usr/bin/env bash
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set -euo pipefail
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ACTION="${1:-}"
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if [[ ! "$ACTION" =~ ^(build|test|validate|run|dry-run|finalize|status|all)$ ]]; then
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echo "Usage: bash $0 {build|test|validate|run|dry-run|finalize|status|all}" >&2
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exit 2
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fi
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SCRIPT_DIR="$(cd -- "$(dirname -- "${BASH_SOURCE[0]}")" && pwd)"
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PROJECT_DIR="${PROJECT_DIR:-$(cd -- "$SCRIPT_DIR/.." && pwd)}"
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PYTHON="${PYTHON:-python3}"
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BACKEND="${BACKEND:-MKL}"
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BACKEND="${BACKEND^^}"
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BUILD_DIR="${BUILD_DIR:-$PROJECT_DIR/build-${BACKEND,,}}"
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ENGINE="${ENGINE:-$BUILD_DIR/spectra_reml}"
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MANIFEST="${MANIFEST:-}"
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OUTPUT="${OUTPUT:-}"
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THREADS="${THREADS:-1}"
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BLAS_THREADS="${BLAS_THREADS:-1}"
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BLOCK_SIZE="${BLOCK_SIZE:-256}"
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RESUME="${RESUME:-1}"
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FORCE="${FORCE:-0}"
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CLI="$PROJECT_DIR/python/spectra_reml.py"
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die() {
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echo "ERROR: $*" >&2
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exit 1
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}
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[[ "$BACKEND" == "MKL" || "$BACKEND" == "OPENBLAS" ]] || die "BACKEND must be MKL or OPENBLAS"
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[[ "$THREADS" =~ ^[1-9][0-9]*$ ]] || die "THREADS must be positive"
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[[ "$BLAS_THREADS" =~ ^[1-9][0-9]*$ ]] || die "BLAS_THREADS must be positive"
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[[ "$BLOCK_SIZE" =~ ^[1-9][0-9]*$ ]] || die "BLOCK_SIZE must be positive"
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[[ "$RESUME" == "0" || "$RESUME" == "1" ]] || die "RESUME must be 0 or 1"
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[[ "$FORCE" == "0" || "$FORCE" == "1" ]] || die "FORCE must be 0 or 1"
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[[ "$RESUME" != "1" || "$FORCE" != "1" ]] || die "RESUME and FORCE are mutually exclusive"
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build_project() {
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local args=(
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-S "$PROJECT_DIR"
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-B "$BUILD_DIR"
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-DCMAKE_BUILD_TYPE=Release
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-DREML_BLAS="$BACKEND"
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-DREML_ENABLE_OPENMP=ON
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)
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if [[ "$BACKEND" == "MKL" ]]; then
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args+=(
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-DMKL_INTERFACE=lp64
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-DMKL_LINK=dynamic
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-DMKL_THREADING=sequential
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)
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fi
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cmake "${args[@]}"
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cmake --build "$BUILD_DIR" --parallel
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}
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if [[ "$ACTION" == "build" ]]; then
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build_project
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exit 0
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fi
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command -v "$PYTHON" >/dev/null 2>&1 || die "Python was not found: $PYTHON"
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[[ -s "$CLI" ]] || die "Generic CLI is missing: $CLI"
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if [[ "$ACTION" == "test" ]]; then
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[[ -d "$BUILD_DIR" ]] || die "Build first: bash $0 build"
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ctest --test-dir "$BUILD_DIR" --output-on-failure
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"$PYTHON" "$PROJECT_DIR/tests/test_math_reference.py"
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"$PYTHON" "$PROJECT_DIR/tests/python/test_spectra_reml_cli.py"
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exit 0
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fi
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[[ -n "$MANIFEST" ]] || die "Set MANIFEST=/absolute/path/to/manifest.json"
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case "$ACTION" in
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validate|status)
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"$PYTHON" "$CLI" "$ACTION" --manifest "$MANIFEST"
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;;
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finalize)
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[[ -n "$OUTPUT" ]] || die "Set OUTPUT=/absolute/path/to/results.tsv.gz"
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"$PYTHON" "$CLI" finalize --manifest "$MANIFEST" --output "$OUTPUT"
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;;
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run|dry-run|all)
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if [[ "$ACTION" != "dry-run" ]]; then
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[[ -x "$ENGINE" ]] || die "Engine is missing/not executable: $ENGINE"
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fi
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mode=()
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if [[ "$FORCE" == "1" ]]; then
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mode+=(--force)
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elif [[ "$RESUME" == "1" ]]; then
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mode+=(--resume)
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fi
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common=(
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--manifest "$MANIFEST"
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--engine "$ENGINE"
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--threads "$THREADS"
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--blas-threads "$BLAS_THREADS"
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--block-size "$BLOCK_SIZE"
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"${mode[@]}"
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)
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if [[ "$ACTION" == "dry-run" ]]; then
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"$PYTHON" "$CLI" run "${common[@]}" --dry-run
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elif [[ "$ACTION" == "all" ]]; then
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[[ -n "$OUTPUT" ]] || die "Set OUTPUT=/absolute/path/to/results.tsv.gz"
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"$PYTHON" "$CLI" all "${common[@]}" --output "$OUTPUT"
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else
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"$PYTHON" "$CLI" run "${common[@]}"
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fi
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;;
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esac
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