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[波函数分析求助] 安装gimic解压后执行setup --omp出现下面这个错误,该怎么办?

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老师们好,我按照考察分子磁感生电流的程序GIMIC 2.0的使用》帖子里面的操作安装gimic,执行setup --omp后出现这个错误?请问这是什么原因?该怎么修改?

cmake -DCMAKE_Fortran_COMPILER=gfortran -DEXTRA_FCFLAGS="''" -DCMAKE_C_COMPILER=gcc -DEXTRA_CFLAGS="''" -DCMAKE_CXX_COMPILER=g++ -DEXTRA_CXXFLAGS="''" -DENABLE_OPENMP=True -DENABLE_MPI=False -DENABLE_CODE_COVERAGE=False -DENABLE_BLAS=False -DENABLE_LAPACK=False -DCMAKE_BUILD_TYPE=release -G"Unix Makefiles" -H/root/Documents/gimic-master -B/root/Documents/gimic-master/build


-- The Fortran compiler identification is GNU
-- The C compiler identification is GNU 5.4.0
-- The CXX compiler identification is GNU 5.4.0
-- Check for working Fortran compiler: /root/.conda/envs/myconda/bin/gfortran
-- Check for working Fortran compiler: /root/.conda/envs/myconda/bin/gfortran  -- broken
-- Configuring incomplete, errors occurred!
See also "/root/Documents/gimic-master/build/CMakeFiles/CMakeOutput.log".
See also "/root/Documents/gimic-master/build/CMakeFiles/CMakeError.log".


CMake Error at /usr/share/cmake/Modules/CMakeTestFortranCompiler.cmake:54 (message):
  The Fortran compiler "/root/.conda/envs/myconda/bin/gfortran" is not able
  to compile a simple test program.


  It fails with the following output:


   Change Dir: /root/Documents/gimic-master/build/CMakeFiles/CMakeTmp


  


  Run Build Command:/usr/bin/gmake "cmTryCompileExec2061391302/fast"


  /usr/bin/gmake -f CMakeFiles/cmTryCompileExec2061391302.dir/build.make
  CMakeFiles/cmTryCompileExec2061391302.dir/build


  gmake[1]: Entering directory
  `/root/Documents/gimic-master/build/CMakeFiles/CMakeTmp'


  /usr/bin/cmake -E cmake_progress_report
  /root/Documents/gimic-master/build/CMakeFiles/CMakeTmp/CMakeFiles 1


  Building Fortran object
  CMakeFiles/cmTryCompileExec2061391302.dir/testFortranCompiler.f.o


  /root/.conda/envs/myconda/bin/gfortran -c
  /root/Documents/gimic-master/build/CMakeFiles/CMakeTmp/testFortranCompiler.f
  -o CMakeFiles/cmTryCompileExec2061391302.dir/testFortranCompiler.f.o


  Linking Fortran executable cmTryCompileExec2061391302


  /usr/bin/cmake -E cmake_link_script
  CMakeFiles/cmTryCompileExec2061391302.dir/link.txt --verbose=1


  /root/.conda/envs/myconda/bin/gfortran
  CMakeFiles/cmTryCompileExec2061391302.dir/testFortranCompiler.f.o -o
  cmTryCompileExec2061391302 -rdynamic


  /usr/bin/ld: cannot find crt1.o: No such file or directory


  /usr/bin/ld: cannot find crti.o: No such file or directory


  /usr/bin/ld: cannot find -lm


  /usr/bin/ld: cannot find -lm


  /usr/bin/ld: cannot find -lc


  /usr/bin/ld: cannot find crtn.o: No such file or directory


  collect2: error: ld returned 1 exit status


  gmake[1]: Leaving directory
  `/root/Documents/gimic-master/build/CMakeFiles/CMakeTmp'


  gmake[1]: *** [cmTryCompileExec2061391302] Error 1


  gmake: *** [cmTryCompileExec2061391302/fast] Error 2


  


  


  CMake will not be able to correctly generate this project.
Call Stack (most recent call first):
  CMakeLists.txt:8 (project)


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发表于 Post on 2023-6-8 07:21:20 | 只看该作者 Only view this author
没装gfortran,装上就完了
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发表于 Post on 2023-6-8 13:12:10 | 只看该作者 Only view this author
本帖最后由 kimariyb 于 2023-6-8 13:13 编辑

如果还没解决问题,可以参考帖子 http://bbs.keinsci.com/thread-37403-1-1.html,和我自己的博文 https://ikuns.icu/005/
KimariYB, Postgraduate, XiaMen University
School of Electronic Science and Engineering (National Model Microelectronics College)
Research interests: theoretical and computational chemistry and machine learning

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