#!/bin/bash
# 安装 PyMOL 开源版（micromamba + conda-forge，原生 arm64）
set -e
MAMBA_DIR="$HOME/.local/bin"
mkdir -p "$MAMBA_DIR"
if [ ! -x "$MAMBA_DIR/micromamba" ]; then
  echo "[1/3] 下载 micromamba"
  curl -Ls https://micro.mamba.pm/api/micromamba/osx-arm64/latest -o /tmp/micromamba.tar.bz2
  tar -xjf /tmp/micromamba.tar.bz2 -C /tmp bin/micromamba
  cp /tmp/bin/micromamba "$MAMBA_DIR/micromamba"
  chmod +x "$MAMBA_DIR/micromamba"
else
  echo "[1/3] micromamba 已存在"
fi
export MAMBA_ROOT_PREFIX="$HOME/.local/share/mamba"
echo "[2/3] 创建 pymol 环境（conda-forge / osx-arm64）"
"$MAMBA_DIR/micromamba" create -y -n pymol -c conda-forge pymol-open-source
echo "[3/3] 验证版本"
"$MAMBA_DIR/micromamba" run -n pymol pymol -cq -d "print('PyMOL OK', cmd.get_version())"
echo "DONE"