#!/usr/bin/env bash # Create the conda env used by Datasets/prepare_atlas.ipynb and prepare_benchmark.ipynb. # # Usage: # bash create_env.sh # FORCE_RECREATE=1 bash create_env.sh # CONDA_ENVS_PREFIX=/path/to/.conda/envs bash create_env.sh # # Then: # conda activate cyflow_datasets # # in Jupyter / Cursor: kernel "Python (cyflow_datasets)" set -euo pipefail SCRIPT_DIR="$(cd "$(dirname "${BASH_SOURCE[0]}")" && pwd)" DATASETS_DIR="$(cd "${SCRIPT_DIR}/.." && pwd)" YML_PATH="${SCRIPT_DIR}/environment.yml" ENV_NAME="${ENV_NAME:-cyflow_datasets}" FORCE_RECREATE="${FORCE_RECREATE:-0}" echo "========================================================================" echo " CREATE DATASETS ENVIRONMENT: ${ENV_NAME}" echo "========================================================================" echo "Setup dir : ${SCRIPT_DIR}" echo "Datasets dir : ${DATASETS_DIR}" echo "" load_conda() { if command -v module >/dev/null 2>&1; then echo ">>> Loading cluster modules (anaconda3)..." module load anaconda3/2023.09-0/none-none 2>/dev/null || module load anaconda3 || true fi if ! command -v conda >/dev/null 2>&1; then for conda_sh in \ "${HOME}/miniforge3/etc/profile.d/conda.sh" \ "${HOME}/mambaforge/etc/profile.d/conda.sh" \ "${HOME}/miniconda3/etc/profile.d/conda.sh" \ "/opt/anaconda3/etc/profile.d/conda.sh" \ "/opt/miniconda3/etc/profile.d/conda.sh" do if [[ -f "${conda_sh}" ]]; then # shellcheck source=/dev/null source "${conda_sh}" break fi done fi if ! command -v conda >/dev/null 2>&1; then echo "ERROR: conda not found. Install Miniforge/Anaconda or load the anaconda module." exit 1 fi # Ensure `conda activate` works in this non-interactive shell. eval "$(conda shell.bash hook)" echo " conda: $(command -v conda)" echo "" } env_exists() { conda env list | awk '{print $1}' | grep -qx "$1" } prepare_yml() { local dest="$1" if [[ -n "${CONDA_ENVS_PREFIX:-}" ]]; then grep -vE '^[[:space:]]*prefix:' "${YML_PATH}" > "${dest}" echo "prefix: ${CONDA_ENVS_PREFIX%/}/${ENV_NAME}" >> "${dest}" echo ">>> Using prefix ${CONDA_ENVS_PREFIX%/}/${ENV_NAME}" else cp "${YML_PATH}" "${dest}" fi } load_conda if [[ "${FORCE_RECREATE}" == "1" ]] && env_exists "${ENV_NAME}"; then echo ">>> FORCE_RECREATE: removing existing env '${ENV_NAME}'" conda env remove -n "${ENV_NAME}" -y echo "" fi if env_exists "${ENV_NAME}"; then echo ">>> Environment '${ENV_NAME}' already exists (skip conda create)" echo " Set FORCE_RECREATE=1 to rebuild." else tmp_yml="$(mktemp "${TMPDIR:-/tmp}/cyflow_datasets_XXXXXX.yml")" prepare_yml "${tmp_yml}" echo ">>> Creating '${ENV_NAME}' from environment.yml" conda env create -n "${ENV_NAME}" -f "${tmp_yml}" rm -f "${tmp_yml}" echo " Created: ${ENV_NAME}" fi echo "" echo ">>> Registering Jupyter kernel" conda activate "${ENV_NAME}" python -m ipykernel install --user \ --name "${ENV_NAME}" \ --display-name "Python (${ENV_NAME})" echo "" echo ">>> Smoke-test imports (cwd=${DATASETS_DIR})" cd "${DATASETS_DIR}" python - <<'PY' import importlib mods = [ "numpy", "pandas", "scipy", "sklearn", "yaml", "matplotlib", "seaborn", "anndata", "scanpy", "fcsparser", "scyan", "pytometry", "tableone", "huggingface_hub", "openpyxl", "utils_datasets", ] failed = [] for name in mods: try: importlib.import_module(name) print(f" ok {name}") except Exception as exc: failed.append((name, exc)) print(f" FAIL {name}: {exc}") if failed: raise SystemExit(1) print("All imports succeeded.") PY echo "" echo "========================================================================" echo " Activate: conda activate ${ENV_NAME}" echo " Notebooks: Datasets/prepare_atlas.ipynb" echo " Datasets/prepare_benchmark.ipynb" echo " Kernel : Python (${ENV_NAME})" echo "========================================================================" echo "Done."