/usr/bin/ld: 在 Heroku 上安装 GPAW 时找不到 -lblas: ASE

Question

我正在尝试在我的 Heroku 服务器上安装 GPAW；我已经使用 Heroku 的 APT buildpack 添加了所有 APT 依赖项，并部署了包含 PIP GPAW 依赖项的代码。问题是，它会抛出一个名为 /usr/bin/ld: cannot find -lblas 的错误，这让我的 h**k 无法正常工作。

这是我的 Aptfile，其中包含 Heroku 部署的所有 APT 依赖项：

build-essential binutils python3-dev gfortran liblapack-dev libopenblas-dev libxc-dev libscalapack-mpi-dev libfftw3-dev ase gpaw

要查看 Heroku 上的完整错误消息：

DGPAW_NO_UNDERSCORE_CSCALAPACK=1 -UNDEBUG -I/app/.heroku/python/include/python3.10 -I/app/.heroku/python/lib/python3.10/site-packages/numpy/core/include -c c/xc/xc.c -o build/temp.linux-x86_64-3.10/c/xc/xc.o -Wall -Wno-unknown-pragmas -std=c99
             gcc -pthread -Wno-unused-result -Wsign-compare -DNDEBUG -g -fwrapv -O3 -Wall -fPIC -DNPY_NO_DEPRECATED_API=7 -DGPAW_NO_UNDERSCORE_CBLACS=1 -DGPAW_NO_UNDERSCORE_CSCALAPACK=1 -UNDEBUG -I/app/.heroku/python/include/python3.10 -I/app/.heroku/python/lib/python3.10/site-packages/numpy/core/include -c c/xc/xc_mgga.c -o build/temp.linux-x86_64-3.10/c/xc/xc_mgga.o -Wall -Wno-unknown-pragmas -std=c99
             gcc -pthread -shared build/temp.linux-x86_64-3.10/c/_gpaw.o build/temp.linux-x86_64-3.10/c/bc.o build/temp.linux-x86_64-3.10/c/blacs.o build/temp.linux-x86_64-3.10/c/blas.o build/temp.linux-x86_64-3.10/c/bmgs/bmgs.o build/temp.linux-x86_64-3.10/c/constraints.o build/temp.linux-x86_64-3.10/c/elpa.o build/temp.linux-x86_64-3.10/c/fd_preconditioner.o build/temp.linux-x86_64-3.10/c/fftw.o build/temp.linux-x86_64-3.10/c/lcao.o build/temp.linux-x86_64-3.10/c/lfc.o build/temp.linux-x86_64-3.10/c/lfc2.o build/temp.linux-x86_64-3.10/c/mpi.o build/temp.linux-x86_64-3.10/c/operators.o build/temp.linux-x86_64-3.10/c/plane_wave.o build/temp.linux-x86_64-3.10/c/plt.o build/temp.linux-x86_64-3.10/c/point_charges.o build/temp.linux-x86_64-3.10/c/spline.o build/temp.linux-x86_64-3.10/c/symmetry.o build/temp.linux-x86_64-3.10/c/tetra.o build/temp.linux-x86_64-3.10/c/transformers.o build/temp.linux-x86_64-3.10/c/utilities.o build/temp.linux-x86_64-3.10/c/wigner_seitz.o build/temp.linux-x86_64-3.10/c/woperators.o build/temp.linux-x86_64-3.10/c/xc/ensemble_gga.o build/temp.linux-x86_64-3.10/c/xc/libvdwxc.o build/temp.linux-x86_64-3.10/c/xc/libxc.o build/temp.linux-x86_64-3.10/c/xc/m06l.o build/temp.linux-x86_64-3.10/c/xc/pbe.o build/temp.linux-x86_64-3.10/c/xc/pw91.o build/temp.linux-x86_64-3.10/c/xc/revtpss.o build/temp.linux-x86_64-3.10/c/xc/revtpss_c_pbe.o build/temp.linux-x86_64-3.10/c/xc/rpbe.o build/temp.linux-x86_64-3.10/c/xc/tpss.o build/temp.linux-x86_64-3.10/c/xc/vdw.o build/temp.linux-x86_64-3.10/c/xc/xc.o build/temp.linux-x86_64-3.10/c/xc/xc_mgga.o -lxc -lblas -o build/lib.linux-x86_64-3.10/_gpaw.cpython-310-x86_64-linux-gnu.so
             /usr/bin/ld: cannot find -lblas
             collect2: error: ld returned 1 exit status
             error: command '/usr/bin/gcc' failed with exit code 1
             [end of output]
         
         note: This error originates from a subprocess, and is likely not a problem with pip.
       error: legacy-install-failure
       
       × Encountered error while trying to install package.
       ╰─> gpaw
       
       note: This is an issue with the package mentioned above, not pip.
       hint: See above for output from the failure.
 !     Push rejected, failed to compile Python app.
 !     Push failed

任何帮助将不胜感激，如果没有伟大的 StackOverFlow 社区的帮助，我不知道我会在哪里！

如果你想查看完整代码，click here

Answer 1

我通过在 Linux 机器上运行 apt-get install openblas-dev 设法解决了这个问题。 （或者在 Mac 上，你可以使用brew 来安装相同的包）在blas 的情况下，Windows 机器没有稳定的发行版，但是由于 Heroku 运行在 Ubuntu 之上，我使用 Docker 来容器化应用程序并在下面写了这个 Dockerfile：

# FOR FRONT-END DEPLOYMENT... (REACT)
FROM node:16-alpine as build-step
WORKDIR /app
ENV PATH /app/client/node_modules/.bin:$PATH
COPY yarn.lock ./
COPY client ./client
WORKDIR /app/client
RUN yarn install
RUN yarn build

# FOR BACK-END DEPLOYMENT... (FLASK)
FROM python:3.10.4-slim
WORKDIR /
# Don't forget "--from"! It acts as a bridge that connects two seperate stages
COPY --from=build-step app ./app
WORKDIR /app
RUN apt-get update && apt-get install -y python3-dev gfortran libopenblas-dev libxc-dev libscalapack-mpi-dev libfftw3-dev
COPY requirements.txt ./
RUN pip3 install -r ./requirements.txt
# Pretty much pass everything in the root folder except for the client folder, as we do NOT want to overwrite the pre-generated client folder that is already in the ./app folder
COPY electron_visualized.py .flaskenv ./
COPY server ./server
EXPOSE 5000
ENTRYPOINT ["python"]
CMD ["electron_visualized.py"]

# THIS IS CALLED MULTI-STAGE BUILDING IN DOCKER

P/S：我在 React + Flask 堆栈之上运行它。