从YAML创建conda环境时Pip报NewConnectionError求助

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2026-6-17

解决通过environment.yml创建conda环境时pip安装依赖失败的问题

问题情况

在Windows的Ubuntu子系统中，尝试用environment.yml创建conda环境时，pip安装依赖包失败，触发NewConnectionError。首次失败发生在安装aiohttp==3.8.5，提示无法建立新连接且找不到匹配版本；移除该包后，安装aiohttp-cors时出现同样故障。

错误日志

Channels:
 - defaults
 - conda-forge
Platform: linux-64
Collecting package metadata (repodata.json): done
Solving environment: done

Downloading and Extracting Packages:

Preparing transaction: done
Verifying transaction: done
Executing transaction: done
Installing pip dependencies: | Ran pip subprocess with arguments:
['/home/henrydavis88/anaconda3/envs/automoldesigner/bin/python', '-m', 'pip', 'install', '-U', '-r', '/home/henrydavis88/test/AutoMolDesigner/condaenv.fajfa6ib.requirements.txt', '--exists-action=b']
Pip subprocess output:

Pip subprocess error:
WARNING: Retrying (Retry(total=4, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('&lt;pip._vendor.urllib3.connection.HTTPSConnection object at 0x7fa3c7c6d6a0&gt;: Failed to establish a new connection: [Errno -2] Name or service not known')': /simple/aiohttp/
WARNING: Retrying (Retry(total=3, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('&lt;pip._vendor.urllib3.connection.HTTPSConnection object at 0x7fa3c7c6d9a0&gt;: Failed to establish a new connection: [Errno -2] Name or service not known')': /simple/aiohttp/
WARNING: Retrying (Retry(total=2, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('&lt;pip._vendor.urllib3.connection.HTTPSConnection object at 0x7fa3c7c6dc10&gt;: Failed to establish a new connection: [Errno -2] Name or service not known')': /simple/aiohttp/
WARNING: Retrying (Retry(total=1, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('&lt;pip._vendor.urllib3.connection.HTTPSConnection object at 0x7fa3c7c6ddc0&gt;: Failed to establish a new connection: [Errno -2] Name or service not known')': /simple/aiohttp/
WARNING: Retrying (Retry(total=0, connect=None, read=None, redirect=None, status=None)) after connection broken by 'NewConnectionError('&lt;pip._vendor.urllib3.connection.HTTPSConnection object at 0x7fa3c7c6dfa0&gt;: Failed to establish a new connection: [Errno -2] Name or service not known')': /simple/aiohttp/
ERROR: Could not find a version that satisfies the requirement aiohttp==3.8.5 (from versions: none)
ERROR: No matching distribution found for aiohttp==3.8.5

failed

CondaEnvException: Pip failed

原environment.yml内容

name: automoldesigner
channels:
  - defaults
dependencies:
  - _libgcc_mutex=0.1=main
  - _openmp_mutex=5.1=1_gnu
  - ca-certificates=2023.05.30=h06a4308_0
  - ld_impl_linux-64=2.38=h1181459_1
  - libffi=3.4.4=h6a678d5_0
  - libgcc-ng=11.2.0=h1234567_1
  - libgomp=11.2.0=h1234567_1
  - libstdcxx-ng=11.2.0=h1234567_1
  - ncurses=6.4=h6a678d5_0
  - openssl=3.0.10=h7f8727e_0
  - pip=23.2.1=py39h06a4308_0
  - python=3.9.16=h955ad1f_3
  - readline=8.2=h5eee18b_0
  - setuptools=68.0.0=py39h06a4308_0
  - sqlite=3.41.2=h5eee18b_0
  - tk=8.6.12=h1ccaba5_0
  - tzdata=2023c=h04d1e81_0
  - wheel=0.38.4=py39h06a4308_0
  - xz=5.4.2=h5eee18b_0
  - zlib=1.2.13=h5eee18b_0
  - pip:
    - aiohttp==3.8.5
    - aiohttp-cors==0.7.0
    - aiosignal==1.3.1
    - async-timeout==4.0.3
    - attrs==23.1.0
    - autogluon-common==0.8.2
    - autogluon-core==0.8.2
    - autogluon-features==0.8.2
    - autogluon-tabular==0.8.2
    - blessed==1.20.0
    - blis==0.7.10
    - boto3==1.28.30
    - botocore==1.31.30
    - cachetools==5.3.1
    - catalogue==2.0.9
    - catboost==1.2
    - certifi==2023.7.22
    - charset-normalizer==3.2.0
    - click==8.1.7
    - cloudpickle==2.2.1
    - colorful==0.5.5
    - confection==0.1.1
    - contourpy==1.1.0
    - cycler==0.11.0
    - cymem==2.0.7
    - descriptastorus==2.6.1
    - dimorphite-dl==1.3.2
    - distlib==0.3.7
    - fastai==2.7.12
    - fastcore==1.5.29
    - fastdownload==0.0.7
    - fastprogress==1.0.3
    - filelock==3.12.2
    - fonttools==4.42.1
    - frozenlist==1.4.0
    - future==0.18.3
    - google-api-core==2.11.1
    - google-auth==2.22.0
    - googleapis-common-protos==1.60.0
    - gpustat==1.1
    - grpcio==1.50.0
    - hyperopt==0.2.7
    - idna==3.4
    - importlib-resources==6.0.1
    - jinja2==3.1.2
    - jmespath==1.0.1
    - joblib==1.3.2
    - jsonschema==4.19.0
    - jsonschema-specifications==2023.7.1
    - kiwisolver==1.4.4
    - langcodes==3.3.0
    - lightgbm==3.3.5
    - markupsafe==2.1.3
    - matplotlib==3.7.2
    - molvs==0.1.1
    - msgpack==1.0.5
    - multidict==6.0.4
    - murmurhash==1.0.9
    - networkx==3.1
    - numpy==1.25.2
    - nvidia-cublas-cu11==11.10.3.66
    - nvidia-cuda-nvrtc-cu11==11.7.99
    - nvidia-cuda-runtime-cu11==11.7.99
    - nvidia-cudnn-cu11==8.5.0.96
    - nvidia-ml-py==12.535.77
    - opencensus==0.11.2
    - opencensus-context==0.1.3
    - packaging==23.1
    - pandas==1.5.3
    - pandas-flavor==0.6.0
    - pathy==0.10.2
    - pillow==10.0.0
    - platformdirs==3.10.0
    - plotly==5.16.1
    - preshed==3.0.8
    - prometheus-client==0.17.1
    - protobuf==4.24.1
    - psutil==5.9.5
    - py-spy==0.3.14
    - py4j==0.10.9.7
    - pyasn1==0.5.0
    - pyasn1-modules==0.3.0
    - pydantic==1.10.12
    - pyparsing==3.0.9
    - pyside6==6.5.2
    - pyside6-addons==6.5.2
    - pyside6-essentials==6.5.2
    - python-dateutil==2.8.2
    - python-graphviz==0.20.1
    - pytz==2023.3
    - pyyaml==6.0.1
    - ray==2.3.1
    - rdkit==2023.3.3
    - referencing==0.30.2
    - requests==2.31.0
    - rpds-py==0.9.2
    - rsa==4.9
    - s3transfer==0.6.2
    - scikit-learn==1.2.2
    - scipy==1.11.2
    - shiboken6==6.5.2
    - six==1.16.0
    - smart-open==6.3.0
    - spacy==3.6.1
    - spacy-legacy==3.0.12
    - spacy-loggers==1.0.4
    - srsly==2.4.7
    - tabulate==0.9.0
    - tenacity==8.2.3
    - tensorboardx==2.6.2.2
    - thinc==8.1.12
    - threadpoolctl==3.2.0
    - torch==1.13.1
    - torchvision==0.14.1
    - tqdm==4.66.1
    - typer==0.9.0
    - typing-extensions==4.7.1
    - urllib3==1.26.16
    - virtualenv==20.24.3
    - wasabi==1.1.2
    - wcwidth==0.2.6
    - xarray==2023.8.0
    - xgboost==1.7.6
    - yarl==1.9.2
    - zipp==3.16.2

解决办法

排查网络连通性：在Ubuntu子系统中执行ping pypi.org，如果无法连通，检查WSL网络设置，确保能正常访问外网。
配置pip国内镜像源：创建或修改子系统中的~/.pip/pip.conf文件，添加国内镜像提升连接稳定性：

[global]
index-url = https://pypi.tuna.tsinghua.edu.cn/simple

优先用conda安装依赖：将aiohttp、aiohttp-cors这类可通过conda安装的包，从environment.yml的pip列表移到conda依赖区，同时添加conda-forge频道（默认源可能缺少部分包）。修改后的文件示例：

name: automoldesigner
channels:
  - defaults
  - conda-forge
dependencies:
  - _libgcc_mutex=0.1=main
  - _openmp_mutex=5.1=1_gnu
  - ca-certificates=2023.05.30=h06a4308_0
  - ld_impl_linux-64=2.38=h1181459_1
  - libffi=3.4.4=h6a678d5_0
  - libgcc-ng=11.2.0=h1234567_1
  - libgomp=11.2.0=h1234567_1
  - libstdcxx-ng=11.2.0=h1234567_1
  - ncurses=6.4=h6a678d5_0
  - openssl=3.0.10=h7f8727e_0
  - pip=23.2.1=py39h06a4308_0
  - python=3.9.16=h955ad1f_3
  - readline=8.2=h5eee18b_0
  - setuptools=68.0.0=py39h06a4308_0
  - sqlite=3.41.2=h5eee18b_0
  - tk=8.6.12=h1ccaba5_0
  - tzdata=2023c=h04d1e81_0
  - wheel=0.38.4=py39h06a4308_0
  - xz=5.4.2=h5eee18b_0
  - zlib=1.2.13=h5eee18b_0
  - aiohttp=3.8.5
  - aiohttp-cors=0.7.0
  - pip:
    - aiosignal==1.3.1
    - async-timeout==4.0.3
    - attrs==23.1.0
    # ... 剩余pip依赖保持不变 ...

重建conda环境：先删除失败的环境：

conda env remove -n automoldesigner

再重新执行创建命令：

conda env create -f environment.yml

手动安装pip依赖：若上述方法无效，可先创建基础conda环境，再激活后手动安装：

conda create -n automoldesigner python=3.9 pip
conda activate automoldesigner
# 将environment.yml中的pip依赖提取为requirements.txt后执行
pip install -r requirements.txt

内容的提问来源于stack exchange，提问作者henrydavis88

从YAML创建conda环境时Pip报NewConnectionError求助

问题情况 #

错误日志 #

原environment.yml内容 #

解决办法 #

问题情况

错误日志

原environment.yml内容

解决办法