AmberTools22安装失败

1739140886 · 发表于 Post on 2022-7-27 20:58:01

想请教一下AmberTools安装失败的原因，

在解压完后：
cd amber22_src/build
./run_cmake
出现了如下错误，使用sudo apt-get install gfortran等命令重装gfortran或者换版本也没用：
The Fortran compiler identification is GNU 7.5.0
-- Check for working Fortran compiler: /home/wzd/anaconda3/bin/x86_64-conda-linux-gnu-gfortran
-- Check for working Fortran compiler: /home/wzd/anaconda3/bin/x86_64-conda-linux-gnu-gfortran  -- broken
CMake Error at /usr/share/cmake-3.16/Modules/CMakeTestFortranCompiler.cmake:45 (message):
  The Fortran compiler

"/home/abc/anaconda3/bin/x86_64-conda-linux-gnu-gfortran"

  is not able to compile a simple test program.

  It fails with the following output:

Change Dir: /home/abc/Downloads/amber22_src/build/CMakeFiles/CMakeTmp

ollect2: error: ld returned 1 exit status
make[1]: *** [CMakeFiles/cmTC_6e0f3.dir/build.make:87：cmTC_6e0f3] 错误 1
make[1]: 离开目录“/home/wzd/Downloads/amber22_src/build/CMakeFiles/CMakeTmp”
make: *** [Makefile:121：cmTC_6e0f3/fast] 错误 2

CMake will not be able to correctly generate this project.
Call Stack (most recent call first):
  CMakeLists.txt:109 (enable_language)

-- Configuring incomplete, errors occurred!

Jotaro · 发表于 Post on 2022-7-27 22:17:46

确保GCC、C++、fortran都有，我用的GCC8.3.1可以

Frozen-Penguin · 发表于 Post on 2022-7-27 22:59:21

如果只用AmberTools，建议用conda安装，可以省很多麻烦
conda create --name AmberTools22
conda activate AmberTools22
conda install -c conda-forge ambertools=22 compilers

1739140886 · 发表于 Post on 2022-7-28 10:29:00

Frozen-Penguin 发表于 2022-7-27 22:59
如果只用AmberTools，建议用conda安装，可以省很多麻烦
conda create --name AmberTools22
conda activat ...

好的，谢谢啦！我去试试

1739140886 · 发表于 Post on 2022-7-28 11:43:04

Jotaro 发表于 2022-7-27 22:17
确保GCC、C++、fortran都有，我用的GCC8.3.1可以

谢谢回复！我用conda安装的方式解决啦！

1739140886 · 发表于 Post on 2022-7-28 11:43:47

Frozen-Penguin 发表于 2022-7-27 22:59
如果只用AmberTools，建议用conda安装，可以省很多麻烦
conda create --name AmberTools22
conda activat ...

感谢方法，解决问题了

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[Amber] AmberTools22安装失败