在Google Colab用setup.py装库遇C++17编译器兼容错误的解决咨询

在Google Colab环境下使用setup.py安装OpenFold时，出现编译失败错误，核心原因是PyTorch和ATen要求使用C17或更高版本的编译器，但当前nvcc编译时采用了C14标准，触发以下错误提示：

#error C17 or later compatible compiler is required to use PyTorch.
#error You need C17 to compile PyTorch
#error C++17 or later compatible compiler is required to use ATen.

完整错误日志如下：

!!
  check.warn(importable)
running build_ext
/opt/conda/lib/python3.12/site-packages/torch/utils/cpp_extension.py:415: UserWarning: The detected CUDA version (12.2) has a minor version mismatch with the version that was used to compile PyTorch (12.1). Most likely this shouldn't be a problem.
  warnings.warn(CUDA_MISMATCH_WARN.format(cuda_str_version, torch.version.cuda))
/opt/conda/lib/python3.12/site-packages/torch/utils/cpp_extension.py:425: UserWarning: There are no g++ version bounds defined for CUDA version 12.2
  warnings.warn(f'There are no {compiler_name} version bounds defined for CUDA version {cuda_str_version}')
building 'attn_core_inplace_cuda' extension
gcc -pthread -B /opt/conda/compiler_compat -fno-strict-overflow -DNDEBUG -O2 -Wall -fPIC -O2 -isystem /opt/conda/include -fPIC -O2 -isystem /opt/conda/include -fPIC -I/content/openfold/openfold/utils/kernel/csrc/ -I/opt/conda/lib/python3.12/site-packages/torch/include -I/opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/api/include -I/opt/conda/lib/python3.12/site-packages/torch/include/TH -I/opt/conda/lib/python3.12/site-packages/torch/include/THC -I/usr/local/cuda/include -I/opt/conda/include/python3.12 -c openfold/utils/kernel/csrc/softmax_cuda.cpp -o build/temp.linux-x86_64-cpython-312/openfold/utils/kernel/csrc/softmax_cuda.o -O3 -DVERSION_GE_1_1 -DVERSION_GE_1_3 -DVERSION_GE_1_5 -DTORCH_API_INCLUDE_EXTENSION_H -DPYBIND11_COMPILER_TYPE=\"_gcc\" -DPYBIND11_STDLIB=\"_libstdcpp\" -DPYBIND11_BUILD_ABI=\"_cxxabi1011\" -DTORCH_EXTENSION_NAME=attn_core_inplace_cuda -D_GLIBCXX_USE_CXX11_ABI=0 -std=c++17
/usr/local/cuda/bin/nvcc -I/content/openfold/openfold/utils/kernel/csrc/ -I/opt/conda/lib/python3.12/site-packages/torch/include -I/opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/api/include -I/opt/conda/lib/python3.12/site-packages/torch/include/TH -I/opt/conda/lib/python3.12/site-packages/torch/include/THC -I/usr/local/cuda/include -I/opt/conda/include/python3.12 -c openfold/utils/kernel/csrc/softmax_cuda_kernel.cu -o build/temp.linux-x86_64-cpython-312/openfold/utils/kernel/csrc/softmax_cuda_kernel.o -D__CUDA_NO_HALF_OPERATORS__ -D__CUDA_NO_HALF_CONVERSIONS__ -D__CUDA_NO_BFLOAT16_CONVERSIONS__ -D__CUDA_NO_HALF2_OPERATORS__ --expt-relaxed-constexpr --compiler-options '-fPIC' -O3 --use_fast_math -DVERSION_GE_1_1 -DVERSION_GE_1_3 -DVERSION_GE_1_5 -std=c++14 -maxrregcount=50 -U__CUDA_NO_HALF_OPERATORS__ -U__CUDA_NO_HALF_CONVERSIONS__ --expt-relaxed-constexpr --expt-extended-lambda -gencode arch=compute_75,code=sm_75 -DTORCH_API_INCLUDE_EXTENSION_H -DPYBIND11_COMPILER_TYPE=\"_gcc\" -DPYBIND11_STDLIB=\"_libstdcpp\" -DPYBIND11_BUILD_ABI=\"_cxxabi1011\" -DTORCH_EXTENSION_NAME=attn_core_inplace_cuda -D_GLIBCXX_USE_CXX11_ABI=0
In file included from /opt/conda/lib/python3.12/site-packages/torch/include/torch/extension.h:5,
                 from openfold/utils/kernel/csrc/softmax_cuda_kernel.cu:18:
/opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/api/include/torch/all.h:4:2: error: #error C++17 or later compatible compiler is required to use PyTorch.
    4 | #error C++17 or later compatible compiler is required to use PyTorch.
      |  ^~~~~
In file included from /opt/conda/lib/python3.12/site-packages/torch/include/c10/util/TypeList.h:3,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/c10/util/Metaprogramming.h:3,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/c10/core/DispatchKeySet.h:4,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/c10/core/Backend.h:5,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/c10/core/Layout.h:3,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/ATen/core/TensorBody.h:12,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/ATen/core/Tensor.h:3,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/ATen/Tensor.h:3,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/autograd/function_hook.h:3,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/autograd/cpp_hook.h:2,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/autograd/variable.h:6,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/autograd/autograd.h:3,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/api/include/torch/autograd.h:3,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/api/include/torch/all.h:7,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/torch/extension.h:5,
                 from openfold/utils/kernel/csrc/softmax_cuda_kernel.cu:18:
/opt/conda/lib/python3.12/site-packages/torch/include/c10/util/C++17.h:27:2: error: #error You need C++17 to compile PyTorch
   27 | #error You need C++17 to compile PyTorch
      |  ^~~~~
In file included from /opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/api/include/torch/types.h:3,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/api/include/torch/data/dataloader_options.h:4,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/api/include/torch/data/dataloader/base.h:3,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/api/include/torch/data/dataloader/stateful.h:4,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/api/include/torch/data/dataloader.h:3,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/api/include/torch/data.h:3,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/torch/csrc/api/include/torch/all.h:9,
                 from /opt/conda/lib/python3.12/site-packages/torch/include/torch/extension.h:5,
                 from openfold/utils/kernel/csrc/softmax_cuda_kernel.cu:18:
/opt/conda/lib/python3.12/site-packages/torch/include/ATen/ATen.h:4:2: error: #error C++17 or later compatible compiler is required to use ATen.
    4 | #error C++17 or later compatible compiler is required to use ATen.
      |  ^~~~~
error: command '/usr/local/cuda/bin/nvcc' failed with exit code 1

解决方案 #

1. 强制nvcc使用C++17编译（优先推荐） #

方法一：通过环境变量指定

在运行setup.py前，先执行以下命令设置环境变量，强制编译器使用C++17标准：

export CXXFLAGS="-std=c++17"
export CUDAFLAGS="-std=c++17"
export TORCH_CUDA_ARCH_LIST="7.5"  # 匹配Colab默认GPU架构（Tesla T4为7.5）

然后执行安装命令：

python setup.py install

方法二：修改setup.py的编译参数

找到setup.py中定义CUDAExtension的部分，添加extra_compile_args参数指定C++17标准：

from torch.utils import cpp_extension

# 找到对应扩展定义代码，添加extra_compile_args
extension = cpp_extension.CUDAExtension(
    name='attn_core_inplace_cuda',
    sources=[
        'openfold/utils/kernel/csrc/softmax_cuda.cpp',
        'openfold/utils/kernel/csrc/softmax_cuda_kernel.cu'
    ],
    extra_compile_args={
        'cxx': ['-std=c++17'],
        'nvcc': ['-std=c++17']
    }
)

修改后重新运行python setup.py install

2. 尝试预编译包安装（避免源码编译） #

如果库提供了预编译pip包，直接通过pip安装跳过源码编译：

pip install openfold

也可查找社区维护的预编译wheel包进行安装。

3. 确认并升级编译器版本（Colab环境一般无需额外操作） #

Colab默认gcc版本为9.x及以上，已支持C++17，可通过以下命令确认：

gcc --version

若版本过低，执行以下命令升级：

sudo apt update
sudo apt install gcc-10 g++-10
sudo update-alternatives --install /usr/bin/gcc gcc /usr/bin/gcc-10 100
sudo update-alternatives --install /usr/bin/g++ g++ /usr/bin/g++-10 100

内容的提问来源于stack exchange，提问作者Lib