v0.1.0
Changes: - added rabbitmq hearbeat, consumer and publisher - fixed vqe to run with rabbitmq - added frontend via fasthtml - added proper .env configuration
This commit is contained in:
505
Dockerfile_build/source/modules/fasthtml.py
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505
Dockerfile_build/source/modules/fasthtml.py
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@@ -0,0 +1,505 @@
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import logging
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import os
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from datetime import datetime, timedelta
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import psutil
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from connections.keycloak import get_valid_access_token, keycloak_openid
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from connections.local_files import (
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delete_client_info,
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delete_token,
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delete_verifier,
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load_client_info,
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load_token,
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load_verifier,
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save_client_info,
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save_token,
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save_verifier,
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)
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from connections.quantum_backend import get_device_by_id, get_or_create_device_by_name
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from connections.rabbitmq import (
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rabbitmq_manager,
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)
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from fasthtml.common import (
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H1,
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H2,
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H3,
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A,
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Button,
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Div,
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FastHTML,
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Form,
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Input,
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Meta,
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P,
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RedirectResponse,
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Script,
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Span,
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Strong,
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Titled,
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)
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from fasthtml.pico import Card, Container, picolink
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from fasthtml.xtend import Style
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from keycloak.pkce_utils import generate_code_challenge, generate_code_verifier
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logging.basicConfig(level=logging.INFO)
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logger = logging.getLogger(__name__)
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REDIRECT_URI = f"http://localhost:{os.environ['PORT']}/callback"
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css = Style(":root {--pico-font-size:90%,--pico-font-family: Pacifico, cursive;}")
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app = FastHTML(hdrs=(picolink, css))
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@app.route("/", methods="get")
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async def main_page():
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# Проверяем наличие валидного токена
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token_data = load_token()
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client_info = load_client_info()
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if token_data:
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expires_at = datetime.fromisoformat(token_data.get("expires_at", "2000-01-01"))
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if expires_at > datetime.now():
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# Если есть токен, но нет информации о клиенте, перенаправляем на регистрацию
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if not client_info:
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return RedirectResponse("/register-client", status_code=303)
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return RedirectResponse("/dashboard", status_code=303)
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else:
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delete_token()
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delete_client_info()
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return Titled(
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"Главная",
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H1("Добро пожаловать в Квантовый Симулятор"),
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P("Пожалуйста, войдите для продолжения"),
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A("Войти через Keycloak", href="/login", cls="button"),
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)
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@app.route("/login", methods="get")
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async def login():
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# Генерация PKCE кода верификатора и запроса
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code_verifier = generate_code_verifier()
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code_challenge, code_challenge_method = generate_code_challenge(
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code_verifier, method="S256"
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)
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# Сохраняем верификатор локально
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save_verifier(code_verifier)
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# Формирование URL авторизации
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auth_url = keycloak_openid.auth_url(
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redirect_uri=REDIRECT_URI,
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scope="openid profile email",
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code_challenge=code_challenge,
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code_challenge_method=code_challenge_method,
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)
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return RedirectResponse(auth_url, status_code=303)
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@app.route("/callback", methods="get")
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async def callback(request):
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code = request.query_params.get("code")
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if not code:
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return Titled(
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"Ошибка", P("Код не найден"), A("Попробовать снова", href="/login")
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)
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# Загружаем верификатор
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code_verifier = load_verifier()
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if not code_verifier:
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return Titled(
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"Ошибка",
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P("PKCE верификатор не найден"),
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A("Попробовать снова", href="/login"),
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)
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# Очищаем верификатор сразу после использования
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delete_verifier()
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try:
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# Обмен кода на токен
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token = keycloak_openid.token(
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grant_type="authorization_code",
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code=code,
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redirect_uri=REDIRECT_URI,
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code_verifier=code_verifier,
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)
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# Расчет времени истечения
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expires_in = token.get("expires_in", 3600)
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expires_at = datetime.now() + timedelta(seconds=expires_in)
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# Получение информации о пользователе
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access_token = token.get("access_token")
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if not access_token:
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raise Exception
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user_info = keycloak_openid.userinfo(access_token)
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# Сохраняем токен
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token_data_to_save = {
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"access_token": access_token,
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"refresh_token": token.get("refresh_token"),
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"expires_at": expires_at.isoformat(),
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"id_token": token.get("id_token"),
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"user_info": user_info,
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}
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save_token(token_data_to_save)
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# Перенаправление на регистрацию клиента (проверит, зарегистрирован ли уже)
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return RedirectResponse("/register-client", status_code=303)
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except Exception as e:
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logger.error(f"Ошибка при обмене токена: {e}")
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return Titled("Ошибка", P(str(e)), A("Попробовать снова", href="/login"))
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@app.route("/register-client", methods="get")
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async def register_client(request):
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"""Страница регистрации клиента в центральном микросервисе"""
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token_data = load_token()
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if not token_data:
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return RedirectResponse("/login", status_code=303)
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# Проверяем, не зарегистрирован ли уже
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client_info = load_client_info()
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if client_info:
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return RedirectResponse("/dashboard", status_code=303)
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# Проверяем истечение токена
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expires_at = datetime.fromisoformat(str(token_data.get("expires_at")))
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if expires_at <= datetime.now():
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delete_token()
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return RedirectResponse("/login", status_code=303)
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user_info = token_data.get("user_info", {})
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username = user_info.get(
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"preferred_username", user_info.get("name", "Пользователь")
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)
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return Titled(
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"Регистрация клиента",
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Container(
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Card(
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H2("Добро пожаловать в Квантовый Симулятор!"),
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P(f"Здравствуйте, {username}!"),
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P("Это устройство должно быть зарегистрировано в центральном сервисе."),
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P(
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"Пожалуйста, укажите уникальное имя и количество кубит для этого клиента:"
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),
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Form(
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Input(
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type="text",
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name="client_name",
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id="client_name",
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placeholder="например: рабочий-ноутбук, домашний-пк, raspberry-pi-01",
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required=True,
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style="width: 100%; padding: 10px; margin: 10px 0;",
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),
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Input(
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type="number",
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name="number_qubits",
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id="number_qubits",
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placeholder=0,
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required=True,
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style="width: 100%; padding: 10px; margin: 10px 0;",
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),
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Div(
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Button(
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"Зарегистрировать клиент",
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type="submit",
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cls="button",
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style="background-color: #4CAF50;",
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),
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style="margin-top: 10px;",
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),
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hx_post="/register-client",
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hx_target="#registration-result",
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hx_swap="innerHTML",
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style="margin-top: 20px;",
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),
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Div(id="registration-result"),
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),
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Div(
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Button(
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"Выйти",
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onclick="window.location.href='/logout'",
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cls="button",
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style="background-color: #f44336; margin-top: 20px;",
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),
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style="text-align: center;",
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),
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),
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)
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@app.route("/register-client", methods="post")
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async def register_client_post(request):
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"""Обработка POST запроса регистрации клиента"""
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form_data = await request.form()
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client_name = form_data.get("client_name")
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number_qubits = form_data.get("number_qubits")
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if not number_qubits:
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return Div(
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P("❌ Обязательно необходимо указать колчество кубит", style="color: red;"),
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)
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if not client_name:
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return Div(
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P("❌ Имя клиента обязательно", style="color: red;"),
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)
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# Проверка формата имени клиента
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import re
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if not re.match(r"^[a-zA-Z0-9_-]+$", client_name):
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return Div(
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P(
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"❌ Имя клиента может содержать только буквы, цифры, дефисы и подчеркивания",
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style="color: red;",
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),
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Button("Попробовать снова", onclick="location.reload()", cls="button"),
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)
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token_data = load_token()
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if not token_data:
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return Div(
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P("❌ Сессия истекла. Пожалуйста, войдите снова.", style="color: red;"),
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A("Войти", href="/login", cls="button"),
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)
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access_token = token_data.get("access_token")
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# Регистрация в центральном микросервисе
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try:
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response = get_or_create_device_by_name(
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client_name, number_qubits, access_token
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)
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save_client_info(
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{
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"system_id": response["system_id"],
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}
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)
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return Div(
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P(
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"✅ Клиент успешно зарегистрирован!",
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style="color: green; font-weight: bold;",
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),
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P(f"Имя клиента: {client_name}"),
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P("Перенаправление на панель управления..."),
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Meta(http_equiv="refresh", content="2;url=/dashboard"),
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Script("setTimeout(() => { window.location.href = '/dashboard'; }, 2000);"),
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)
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except Exception:
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return Div(
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P("❌ Ошибка регистрации", style="color: red;"),
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Button("Попробовать снова", onclick="location.reload()", cls="button"),
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P(
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"Если проблема повторяется, обратитесь к администратору.",
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style="font-size: 12px; margin-top: 10px;",
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),
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)
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@app.route("/dashboard", methods="get")
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async def dashboard():
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access_token = get_valid_access_token()
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if rabbitmq_manager._connection and access_token:
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await rabbitmq_manager._connection.update_secret(
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access_token, reason="Token expired"
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)
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if not access_token:
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# Token refresh failed, redirect to login
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return RedirectResponse("/", status_code=303)
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token_data = load_token()
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client_info = load_client_info()
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if not token_data or not client_info:
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return RedirectResponse("/", status_code=303)
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user_info = token_data.get("user_info", {})
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username = user_info.get(
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"preferred_username", user_info.get("name", "Пользователь")
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)
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system_id = client_info.get("system_id", None)
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if not token_data:
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return Div(
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P("❌ Сессия истекла. Пожалуйста, войдите снова.", style="color: red;"),
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A("Войти", href="/login", cls="button"),
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)
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try:
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if system_id:
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device_data = get_device_by_id(system_id, access_token)
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device_name = device_data["system"]["system_name"]
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max_qubits = device_data["system"]["max_qubits"]
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created_at = device_data["system"]["created_at"]
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else:
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device_name = "error"
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max_qubits = "error"
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created_at = "error"
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except Exception as a:
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device_name = "error"
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max_qubits = "error"
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created_at = "error"
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return Titled(
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"Панель управления",
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Container(
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Card(
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P(Strong("Имя пользователя: "), username),
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P(Strong("Email: "), user_info.get("email", "Не указан")),
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P(Strong("Устройство зарегестрировано: "), created_at),
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Div(style="border: 1px solid black"),
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P(Strong("Имя вычислительной системы: "), device_name),
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P(Strong("Макс. количество кубит: "), max_qubits),
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Div(Button("Изменить", style="background-color: blue;")),
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Div(
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id="client-status",
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hx_get="/client-status",
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hx_trigger="load, every 30s",
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),
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),
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Div(id="memory-stats", hx_get="/memory-stats", hx_trigger="load, every 5s"),
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A(
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Button(
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"Выйти",
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style="background-color: #f44336;",
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),
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href="/logout",
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style="margin: 0px;color: inherit;text-decoration: inherit;",
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),
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),
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)
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@app.route("/client-status", methods="get")
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async def status():
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"""Получить статус клиента из центрального микросервиса"""
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token_data = load_token()
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client_info = load_client_info()
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if not token_data or not client_info:
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return P("Клиент не зарегистрирован", style="color: orange;")
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if rabbitmq_manager._connection:
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# TODO: FIX
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status = (
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rabbitmq_manager._connection.connected
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) # get_client_status(client_name, access_token)
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||||
if status:
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return Div(
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P(
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Strong("Статус клиента: "),
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Span("✅ Активен", style="color: green;"),
|
||||
),
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||||
style="padding: 10px; border-radius: 5px; margin: 10px 0;",
|
||||
)
|
||||
else:
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return Div(
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P(
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Strong("Статус клиента: "),
|
||||
Span("Не подключен", style="color: orange;"),
|
||||
),
|
||||
P(
|
||||
"Не удалось связаться с центральным сервисом или данному клиенту отказано в подключении"
|
||||
),
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style="padding: 10px; border-radius: 5px; margin: 10px 0;",
|
||||
)
|
||||
|
||||
|
||||
@app.route("/memory-stats", methods="get")
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async def memory_stats():
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"""Endpoint, возвращающий карточку использования памяти (для обновления через HTMX)"""
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process = psutil.Process(os.getpid())
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memory_info = process.memory_info()
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current_time = datetime.now()
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timestamp = current_time.strftime("%Y-%m-%d %H:%M:%S")
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||||
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def format_bytes(bytes):
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for unit in ["Б", "КБ", "МБ", "ГБ"]:
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if bytes < 1024.0:
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||||
return f"{bytes:.1f} {unit}"
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bytes /= 1024.0
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||||
return f"{bytes:.1f} ГБ"
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||||
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||||
mem = 0
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||||
if os.path.isfile("/sys/fs/cgroup/memory.max"):
|
||||
with open("/sys/fs/cgroup/memory.max") as limit:
|
||||
try:
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mem = int(limit.read())
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||||
except Exception:
|
||||
mem = 0
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||||
# resource.setrlimit(resource.RLIMIT_AS, (mem, mem))
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||||
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||||
rss_memory = format_bytes(memory_info.rss)
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||||
if mem > 0:
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memory_percent = (memory_info.rss / mem) * 100
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||||
else:
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||||
memory_percent = process.memory_percent()
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||||
|
||||
bar_color = (
|
||||
"#4CAF50"
|
||||
if memory_percent < 1
|
||||
else "#FFC107"
|
||||
if memory_percent < 5
|
||||
else "#F44336"
|
||||
)
|
||||
|
||||
return Div(
|
||||
H2("Использование памяти"),
|
||||
Card(
|
||||
Div(
|
||||
H3(rss_memory),
|
||||
style="width: 100%;display:flex;flex-direction:column;align-items:center",
|
||||
),
|
||||
Div(
|
||||
Div(
|
||||
style=f"width: {min(memory_percent, 100)}%; background-color: {bar_color}; height: 20px; border-radius: 10px;"
|
||||
),
|
||||
style="width: 100%; background-color: #e0e0e0; border-radius: 10px; overflow: hidden; margin: 10px 0;",
|
||||
),
|
||||
P(
|
||||
f"{memory_percent:.2f}% от системной памяти",
|
||||
style="text-align: center; font-size: 12px;",
|
||||
),
|
||||
P(
|
||||
Strong("Обновлено: "),
|
||||
timestamp,
|
||||
style="text-align: center; font-size: 11px; color: #666;",
|
||||
),
|
||||
),
|
||||
)
|
||||
|
||||
|
||||
@app.route("/logout", methods="get")
|
||||
async def logout():
|
||||
token_data = load_token()
|
||||
|
||||
if token_data and token_data.get("refresh_token"):
|
||||
keycloak_openid.logout(token_data["refresh_token"])
|
||||
# Очищаем локальные файлы
|
||||
delete_token()
|
||||
delete_client_info()
|
||||
delete_verifier()
|
||||
|
||||
return Titled(
|
||||
"Выход выполнен",
|
||||
H2("До свидания!"),
|
||||
P("Вы успешно вышли из системы."),
|
||||
P("Ваш клиент был отменен в центральном сервисе."),
|
||||
A("Войти снова", href="/", cls="button"),
|
||||
)
|
||||
|
||||
|
||||
# Опционально: endpoint для проверки работоспособности для центрального сервиса
|
||||
@app.route("/health", methods="get")
|
||||
async def health():
|
||||
return {"status": "healthy", "timestamp": datetime.now().isoformat()}
|
||||
326
Dockerfile_build/source/modules/rabbitmq.py
Normal file
326
Dockerfile_build/source/modules/rabbitmq.py
Normal file
@@ -0,0 +1,326 @@
|
||||
import asyncio
|
||||
import json
|
||||
from multiprocessing import Pipe, Process
|
||||
from multiprocessing.connection import Connection
|
||||
from time import sleep
|
||||
|
||||
import aio_pika
|
||||
import pennylane
|
||||
from aio_pika.abc import AbstractIncomingMessage
|
||||
from connections.keycloak import (
|
||||
get_valid_access_token,
|
||||
)
|
||||
from connections.local_files import load_client_info
|
||||
from connections.quantum_backend import (
|
||||
get_device_by_id,
|
||||
)
|
||||
from connections.rabbitmq import rabbitmq_manager
|
||||
from fastcore.xtras import datetime
|
||||
from modules.vqe import prepare_data, run_vqe
|
||||
from pennylane.devices import Device
|
||||
from uvicorn.main import logger
|
||||
|
||||
HEARTBEAT_EXCHANGE = "heartbeat"
|
||||
HEARTBEAT_INTERVAL = 5
|
||||
EXCHANGE_NAME = "progress_report"
|
||||
|
||||
# Global flag to track if VQE is busy
|
||||
vqe_busy = False
|
||||
vqe_busy_lock = asyncio.Lock()
|
||||
|
||||
|
||||
# --- RabbitMQ Consumer Logic ---
|
||||
async def process_message(message: AbstractIncomingMessage):
|
||||
"""Your business logic for handling a message."""
|
||||
global vqe_busy
|
||||
|
||||
async with message.process():
|
||||
body = message.body.decode()
|
||||
print(f"Received and processing: {body}")
|
||||
|
||||
# Parse the JSON message
|
||||
data = json.loads(body)
|
||||
task_id = data.get("task_id")
|
||||
qubits_needed = data.get("qubits_needed")
|
||||
message_data = data.get("data", {})
|
||||
|
||||
loop = asyncio.get_running_loop()
|
||||
|
||||
# Extract molecular information from the text
|
||||
dev = pennylane.device("lightning.qubit", wires=qubits_needed)
|
||||
|
||||
sleep(1)
|
||||
|
||||
await publish_message(task_id, "", "IN SYSTEM")
|
||||
|
||||
data = prepare_data(message_data)
|
||||
|
||||
parent_conn, child_conn = Pipe()
|
||||
|
||||
# Set busy flag before starting VQE
|
||||
async with vqe_busy_lock:
|
||||
vqe_busy = True
|
||||
|
||||
try:
|
||||
# Run VQE in a separate process - will exit automatically when done
|
||||
vqe_process = Process(
|
||||
target=run_vqe_process,
|
||||
args=(child_conn, dev, data),
|
||||
)
|
||||
vqe_process.start()
|
||||
|
||||
# Monitor pipe in a separate thread to avoid blocking the event loop
|
||||
def monitor_pipe_thread():
|
||||
while vqe_process.is_alive():
|
||||
if parent_conn.poll():
|
||||
logger.info("polling success")
|
||||
result = parent_conn.recv()
|
||||
|
||||
if isinstance(result, dict) and result.get("status") == "ERROR":
|
||||
asyncio.run_coroutine_threadsafe(
|
||||
publish_message(task_id, json.dumps(result), "ERROR"),
|
||||
loop,
|
||||
)
|
||||
break
|
||||
|
||||
# Check for sentinel
|
||||
if result is None:
|
||||
asyncio.run_coroutine_threadsafe(
|
||||
publish_message(task_id, "", "COMPLETE"), loop
|
||||
)
|
||||
break
|
||||
|
||||
# Drain to get latest result
|
||||
while parent_conn.poll():
|
||||
result = parent_conn.recv()
|
||||
if result is None:
|
||||
asyncio.run_coroutine_threadsafe(
|
||||
publish_message(task_id, "", "COMPLETE"), loop
|
||||
)
|
||||
break
|
||||
|
||||
if result is not None:
|
||||
logger.info(f"publishing {result}")
|
||||
# Run async publish in the event loop
|
||||
asyncio.run_coroutine_threadsafe(
|
||||
publish_message(task_id, json.dumps(result)), loop
|
||||
)
|
||||
else:
|
||||
import time
|
||||
|
||||
time.sleep(5)
|
||||
else:
|
||||
if vqe_process.exitcode == 0:
|
||||
asyncio.run_coroutine_threadsafe(
|
||||
publish_message(task_id, "", "COMPLETE"), loop
|
||||
)
|
||||
else:
|
||||
if parent_conn.poll():
|
||||
logger.info("polling success")
|
||||
result = parent_conn.recv()
|
||||
|
||||
if (
|
||||
isinstance(result, dict)
|
||||
and result.get("status") == "ERROR"
|
||||
):
|
||||
print(f"ERROR ERROR ERROR ERROR ERROR ERROR")
|
||||
asyncio.run_coroutine_threadsafe(
|
||||
publish_message(
|
||||
task_id, json.dumps(result), "ERROR"
|
||||
),
|
||||
loop,
|
||||
)
|
||||
|
||||
# Run the monitor in a thread
|
||||
import threading
|
||||
|
||||
monitor_thread = threading.Thread(target=monitor_pipe_thread, daemon=True)
|
||||
monitor_thread.start()
|
||||
|
||||
# Wait for the process to finish
|
||||
await asyncio.to_thread(vqe_process.join)
|
||||
|
||||
# Wait for monitor thread to finish
|
||||
monitor_thread.join(timeout=1)
|
||||
|
||||
print(f"Completed task {task_id}")
|
||||
|
||||
finally:
|
||||
# Clear busy flag after VQE completes (success or failure)
|
||||
async with vqe_busy_lock:
|
||||
vqe_busy = False
|
||||
|
||||
|
||||
def run_vqe_process(conn: Connection, dev: Device, data: dict):
|
||||
"""Run VQE in a separate process - process exits when this function returns."""
|
||||
try:
|
||||
# Run VQE
|
||||
run_vqe(conn=conn, dev1=dev, data=data)
|
||||
|
||||
# Send sentinel to indicate completion
|
||||
conn.send(None) # Signal completion
|
||||
conn.close()
|
||||
|
||||
except Exception as e:
|
||||
logger.info(f"Error in VQE: {e}")
|
||||
import traceback
|
||||
|
||||
# Send error information through the pipe BEFORE sending None
|
||||
error_msg = {
|
||||
"error": str(e),
|
||||
"traceback": traceback.format_exc(),
|
||||
"status": "ERROR",
|
||||
}
|
||||
conn.send(error_msg) # Send error details
|
||||
conn.send(None) # Signal completion
|
||||
import time
|
||||
|
||||
time.sleep(5)
|
||||
conn.close()
|
||||
|
||||
|
||||
async def consume_messages_topic():
|
||||
"""
|
||||
Subscribe to team-specific qubit queues.
|
||||
Multiple systems subscribe to the SAME queue: team_{team_id}.qubits_{N}
|
||||
where N is the number of qubits this system can handle (1 to max_qubits).
|
||||
|
||||
This enables round-robin task distribution among systems with sufficient qubits.
|
||||
"""
|
||||
channel = await rabbitmq_manager.get_consumer_channel()
|
||||
if not channel:
|
||||
raise Exception("Failed to get consumer channel")
|
||||
|
||||
client_info = load_client_info()
|
||||
if not client_info:
|
||||
raise Exception("Failed to load client info")
|
||||
|
||||
system_id = client_info["system_id"]
|
||||
access_token = get_valid_access_token()
|
||||
device_data = get_device_by_id(system_id, access_token)
|
||||
teams = device_data["teams"]
|
||||
if not teams:
|
||||
print(f"System {system_id} is not part of any team. No queues to subscribe.")
|
||||
|
||||
# Subscribe to qubit-specific queues for each team
|
||||
subscription_count = 0
|
||||
for team in teams:
|
||||
for qubits in range(1, team["num_qubits"] + 1):
|
||||
# Queue name format: team_{team_id}.qubits_{qubits}
|
||||
queue_name = f"team_{team['team']['team_id']}.qubits_{qubits}"
|
||||
|
||||
# Declare the queue (durable, shared among multiple consumers)
|
||||
queue = await channel.declare_queue(
|
||||
queue_name,
|
||||
durable=True,
|
||||
arguments={
|
||||
"x-max-priority": 100, # Allow priorities 0-10
|
||||
},
|
||||
)
|
||||
|
||||
# Start consuming from this queue
|
||||
await queue.consume(
|
||||
process_message,
|
||||
arguments={"x-priority": qubits, "x-priority-max": 10},
|
||||
)
|
||||
subscription_count += 1
|
||||
|
||||
print(f"System {system_id} subscribed to queue: {queue_name}")
|
||||
|
||||
print(f"System {system_id} subscribed to {subscription_count} queues")
|
||||
await asyncio.Future() # Keep running
|
||||
|
||||
|
||||
# --- Heartbeat Publisher Logic ---
|
||||
async def publish_heartbeat():
|
||||
"""Continuously publish 'alive' or 'busy' messages using the shared connection."""
|
||||
global vqe_busy
|
||||
|
||||
channel = await rabbitmq_manager.get_heartbeat_channel()
|
||||
if not channel:
|
||||
raise Exception("Failed to get heartbeat channel")
|
||||
|
||||
exchange = await channel.declare_exchange(
|
||||
HEARTBEAT_EXCHANGE, type=aio_pika.ExchangeType.FANOUT, durable=True
|
||||
)
|
||||
print(
|
||||
f"Heartbeat publisher started, sending status every {HEARTBEAT_INTERVAL} seconds..."
|
||||
)
|
||||
|
||||
while True:
|
||||
try:
|
||||
client_info = load_client_info()
|
||||
if not client_info:
|
||||
raise Exception("Failed to load client info")
|
||||
|
||||
system_id = client_info["system_id"]
|
||||
|
||||
# Check current busy status
|
||||
async with vqe_busy_lock:
|
||||
current_status = "BUSY" if vqe_busy else "ONLINE"
|
||||
|
||||
# Add timestamp for better monitoring
|
||||
heartbeat_message = {
|
||||
"device_id": system_id,
|
||||
"status": current_status,
|
||||
"timestamp": datetime.now().isoformat(),
|
||||
}
|
||||
|
||||
message_body = json.dumps(heartbeat_message)
|
||||
await exchange.publish(
|
||||
aio_pika.Message(
|
||||
body=message_body.encode(),
|
||||
delivery_mode=aio_pika.DeliveryMode.PERSISTENT,
|
||||
),
|
||||
routing_key="",
|
||||
)
|
||||
print(
|
||||
f"Heartbeat sent: {current_status} at {asyncio.get_event_loop().time():.2f}"
|
||||
)
|
||||
await asyncio.sleep(HEARTBEAT_INTERVAL)
|
||||
|
||||
except Exception as e:
|
||||
print(f"Error publishing heartbeat: {e}")
|
||||
await asyncio.sleep(1)
|
||||
|
||||
|
||||
async def publish_message(task_id: int, message: str, status: str = "PROCESSING"):
|
||||
"""Publish a message to the exchange using shared connection."""
|
||||
try:
|
||||
channel = await rabbitmq_manager.get_publisher_channel()
|
||||
if not channel:
|
||||
raise Exception("Failed to get publisher channel")
|
||||
|
||||
# Declare exchange instead of queue
|
||||
exchange = await channel.declare_exchange(
|
||||
EXCHANGE_NAME, # Using QUEUE_NAME as exchange name
|
||||
type=aio_pika.ExchangeType.DIRECT, # or TOPIC/FANOUT based on your needs
|
||||
durable=True,
|
||||
)
|
||||
|
||||
client_info = load_client_info()
|
||||
if not client_info:
|
||||
raise Exception("Failed to load client info")
|
||||
|
||||
system_id = client_info["system_id"]
|
||||
|
||||
# Publish directly to the exchange
|
||||
await exchange.publish(
|
||||
aio_pika.Message(
|
||||
body=message.encode(),
|
||||
headers={
|
||||
"task_id": str(task_id),
|
||||
"status": status, # "PROCESSING" or "COMPLETE"
|
||||
"system_id": str(system_id),
|
||||
},
|
||||
content_type="application/json",
|
||||
delivery_mode=aio_pika.DeliveryMode.PERSISTENT,
|
||||
),
|
||||
routing_key="", # Empty routing key for direct exchange, or use task_id as routing key
|
||||
)
|
||||
print(f"Message published to exchange {EXCHANGE_NAME}: {message}")
|
||||
except Exception as e:
|
||||
print(f"Error publishing message: {e}")
|
||||
import traceback
|
||||
|
||||
traceback.print_exc()
|
||||
168
Dockerfile_build/source/modules/vqe.py
Normal file
168
Dockerfile_build/source/modules/vqe.py
Normal file
@@ -0,0 +1,168 @@
|
||||
import os
|
||||
from multiprocessing.connection import Connection
|
||||
|
||||
import jax
|
||||
import pennylane as qml
|
||||
import pennylane.numpy as np
|
||||
from jax import numpy as jnp
|
||||
from pennylane import qchem
|
||||
from pennylane.devices import Device
|
||||
from pennylane.optimize import GradientDescentOptimizer
|
||||
|
||||
jax.config.update("jax_enable_x64", True)
|
||||
|
||||
os.environ["OMP_NUM_THREADS"] = "16"
|
||||
|
||||
|
||||
def parse_xyz_from_text(text: str):
|
||||
"""Parse XYZ format from text content."""
|
||||
lines = text.strip().split("\n")
|
||||
|
||||
# First line: number of atoms
|
||||
num_atoms = int(lines[0].strip())
|
||||
|
||||
# Second line: Charge/Multiplicity/Electrons/Orbitals (optional)
|
||||
# Skip or parse as needed
|
||||
|
||||
symbols = []
|
||||
coordinates = []
|
||||
|
||||
# Parse atom lines (after the second line)
|
||||
for line in lines[2 : 2 + num_atoms]:
|
||||
parts = line.strip().split()
|
||||
if len(parts) >= 4:
|
||||
symbol = parts[0]
|
||||
x, y, z = float(parts[1]), float(parts[2]), float(parts[3])
|
||||
symbols.append(symbol)
|
||||
coordinates.append([x, y, z])
|
||||
|
||||
return symbols, coordinates
|
||||
|
||||
|
||||
def extract_electron_info(text: str):
|
||||
"""Extract electron and orbital counts from the second line."""
|
||||
lines = text.strip().split("\n")
|
||||
if len(lines) >= 2:
|
||||
second_line = lines[1]
|
||||
# Parse "Charge=0 Multiplicity=1 Electrons=3 Orbitals=3"
|
||||
electrons = 3 # default
|
||||
orbitals = 3 # default
|
||||
charge = 0 # default
|
||||
multiplicity = 1 # default
|
||||
|
||||
for part in second_line.split():
|
||||
if "Electrons=" in part:
|
||||
electrons = int(part.split("=")[1])
|
||||
elif "Orbitals=" in part:
|
||||
orbitals = int(part.split("=")[1])
|
||||
elif "Charge=" in part:
|
||||
charge = int(part.split("=")[1])
|
||||
elif "Multiplicity=" in part:
|
||||
multiplicity = int(part.split("=")[1])
|
||||
|
||||
return electrons, orbitals, charge, multiplicity
|
||||
|
||||
return 3, 3, 0, 1 # fallback defaults
|
||||
|
||||
|
||||
def prepare_data(data):
|
||||
text_content = data.get("text", "")
|
||||
|
||||
# Parse the molecular data (assuming it's in XYZ format)
|
||||
symbols, coordinates = parse_xyz_from_text(text_content)
|
||||
|
||||
# Extract electron/orbital info (from the Charge/Multiplicity line)
|
||||
# "Charge=0 Multiplicity=1 Electrons=3 Orbitals=3"
|
||||
electrons, orbitals, charge, multiplicity = extract_electron_info(text_content)
|
||||
|
||||
return {
|
||||
"symbols": symbols,
|
||||
"coordinates": coordinates,
|
||||
"charge": charge,
|
||||
"multiplicity": multiplicity,
|
||||
"active_electrons": electrons,
|
||||
"active_orbitals": orbitals,
|
||||
"max_iterations": data.get("max_iterations", 200),
|
||||
"conv_tol": data.get("conv_tol", 1e-6),
|
||||
"step_size": data.get("step_size", 0.05),
|
||||
}
|
||||
|
||||
|
||||
def run_vqe(conn: Connection, dev1: Device, data: dict):
|
||||
coordinates = jnp.array(data.get("coordinates"))
|
||||
charge = int(data.get("charge"))
|
||||
multiplicity = int(data.get("multiplicity"))
|
||||
molecule = qchem.Molecule(
|
||||
data.get("symbols"),
|
||||
coordinates,
|
||||
charge=charge,
|
||||
mult=multiplicity,
|
||||
)
|
||||
|
||||
active_electrons = int(data.get("active_electrons"))
|
||||
active_orbitals = int(data.get("active_orbitals"))
|
||||
|
||||
max_iterations = int(data.get("max_iterations", 200))
|
||||
step_size = float(data.get("step_size", 0.05))
|
||||
conv_tol = float(data.get("conv_tol", 1e-6))
|
||||
|
||||
H, qubits = qchem.molecular_hamiltonian(
|
||||
molecule,
|
||||
active_electrons=active_electrons,
|
||||
active_orbitals=active_orbitals,
|
||||
method="openfermion",
|
||||
) # type: ignore
|
||||
|
||||
singles, doubles = qml.qchem.excitations(active_electrons, qubits)
|
||||
|
||||
params = np.array(np.zeros(len(singles) + len(doubles)), requires_grad=True)
|
||||
|
||||
conn.send(
|
||||
{
|
||||
"iter_num": 0,
|
||||
"energy": None,
|
||||
"conv": None,
|
||||
"params": params.tolist() if hasattr(params, "tolist") else list(params),
|
||||
}
|
||||
)
|
||||
|
||||
@qml.qnode(dev1)
|
||||
def circuit(param, wires):
|
||||
# Map excitations to the wires the UCCSD circuit will act on
|
||||
s_wires, d_wires = qml.qchem.excitations_to_wires(singles, doubles)
|
||||
qml.UCCSD(
|
||||
param,
|
||||
wires,
|
||||
s_wires=s_wires,
|
||||
d_wires=d_wires,
|
||||
init_state=qml.qchem.hf_state(active_electrons, qubits),
|
||||
)
|
||||
return qml.expval(H)
|
||||
|
||||
def cost_fn(param):
|
||||
return circuit(param, wires=range(qubits))
|
||||
|
||||
opt = GradientDescentOptimizer(stepsize=step_size)
|
||||
|
||||
for n in range(max_iterations):
|
||||
# Take step
|
||||
params, prev_energy = opt.step_and_cost(cost_fn, params)
|
||||
|
||||
energy = cost_fn(params)
|
||||
|
||||
# Calculate difference between new and old energies
|
||||
conv = np.abs(energy - prev_energy)
|
||||
|
||||
conn.send(
|
||||
{
|
||||
"iter_num": n,
|
||||
"energy": float(energy),
|
||||
"conv": float(conv),
|
||||
"params": params.tolist()
|
||||
if hasattr(params, "tolist")
|
||||
else list(params),
|
||||
}
|
||||
)
|
||||
|
||||
if conv <= conv_tol:
|
||||
break
|
||||
Reference in New Issue
Block a user