这种情况怎么解决（gromacs安装过程出现的报错）

meteor

输入export CMAKE_PRFIX_PATH=/usr/local/gmx/fftw339

cmake .. -DCMAKE_INSTALL_PREFIX=/usr/local/gmx/gmx2020.6 -DCMAKE_C_COMPILER=/usr/local/gmx/gcc/bin/gcc -DCMAKE_CXX_COMPILER=/usr/local/gmx/gcc/bin/g++ -DGMX_BUILD_OWN_FFTW=ON
指令过后出现报错提醒
Could NOT find BLAS (missing: BLAS_LIBRARIES)
-- Using GROMACS built-in BLAS.
-- Could NOT find LAPACK (missing: LAPACK_LIBRARIES)
    Reason given by package: LAPACK could not be found because dependency BLAS could not be found.

-- Using GROMACS built-in LAPACK.
-- Checking for dlopen
-- Performing Test HAVE_DLOPEN
-- Performing Test HAVE_DLOPEN - Success
-- Checking for dlopen - found
-- Using dynamic plugins (e.g VMD-supported file formats)
-- Checking for suitable VMD version
-- VMD plugins not found. Path to VMD can be set with VMDDIR.
-- Using default binary suffix: ""
-- Using default library suffix: ""
-- Could not convert sample image, ImageMagick convert can not be used. A possible way to fix it can be found here: https://alexvanderbist.com/posts ... -error-unauthorized
Traceback (most recent call last):
  File "<string>", line 1, in <module>
ImportError: No module named pygments
-- Could NOT find Sphinx (missing: SPHINX_EXECUTABLE pygments) (Required is at least version "1.6.1")
error: Cannot open file /home/twj/下载/gromacs-2020.1/build/CMakeDoxyfile.tpl for writing
CMake Error at /usr/local/gmx/cmake3/share/cmake-3.20/Modules/FindDoxygen.cmake:700 (message):
  Unable to generate Doxyfile template: 1
Call Stack (most recent call first):
  docs/doxygen/CMakeLists.txt:38 (find_package)


-- Configuring incomplete, errors occurred!

sobereva

路径里绝对不要有中文。先解决了这个再说别的

meteor

sobereva 发表于 2021-3-19 18:57
路径里绝对不要有中文。先解决了这个再说别的

刚才试了在英文路径下安装也是这个问题

sobereva

CMAKE_PRFIX_PATH是CMAKE_PREFIX_PATH

机子里已经有了FFTW，再写-DGMX_BUILD_OWN_FFTW=ON完全多余，文中说了
GROMACS的安装方法（含全程视频演示）
http://sobereva.com/457（http://bbs.keinsci.com/thread-11821-1-1.html）

根据报错试图解决，当前提示No module named pygments，自然就考虑yum install python-pygments装上再试（严格按上文安装的话不会要求有这个组件）

落伦丹的秋天

请问最后这个问题是怎么解决的，我也碰到了