centos7.6里gromacs安装问题

大头攒毛 · 发表于 Post on 2022-4-26 20:45:01

我用的windows装的centos7.6，在安装gromacs的时候出现了以下问题，Python3要装到什么位置？

[chenzhou@localhost build]$ cmake3 .. -DCMAKE_INSTALL_PREFIX=/home/chenzhou/sob/gmx2022.1
-- Could NOT find Python3 (missing: Python3_EXECUTABLE Python3_LIBRARIES Python3_INCLUDE_DIRS Interpreter Development) (Required is at least version "3.7")
Reason given by package:
      Interpreter: Wrong version for the interpreter "/usr/bin/python3"

CMake Error: Could not open file for write in copy operation /home/chenzhou/sob/gromacs-2022.1/build/VersionInfo-partial.cmake.cmakein.tmp
CMake Error: : System Error: Permission denied
CMake Error at cmake/gmxVersionInfo.cmake:432 (configure_file):
  configure_file Problem configuring file
Call Stack (most recent call first):
  CMakeLists.txt:78 (include)

CMake Error: Could not open file for write in copy operation /home/chenzhou/sob/gromacs-2022.1/build/DartConfiguration.tcl.tmp
CMake Error: : System Error: Permission denied
CMake Error at /usr/share/cmake3/Modules/CTestTargets.cmake:28 (configure_file):
  configure_file Problem configuring file
Call Stack (most recent call first):
  /usr/share/cmake3/Modules/CTest.cmake:266 (include)
  cmake/gmxCTestUtilities.cmake:51 (include)
  CMakeLists.txt:116 (gmx_ctest_init)

CMake Error at /usr/share/cmake3/Modules/FindOpenMP.cmake:172 (file):
  file failed to open for writing (Permission denied):

/home/chenzhou/sob/gromacs-2022.1/build/CMakeFiles/FindOpenMP/OpenMPTryFlag.cpp
Call Stack (most recent call first):
  /usr/share/cmake3/Modules/FindOpenMP.cmake:185 (_OPENMP_WRITE_SOURCE_FILE)
  /usr/share/cmake3/Modules/FindOpenMP.cmake:446 (_OPENMP_GET_FLAGS)
  cmake/gmxManageOpenMP.cmake:41 (find_package)
  CMakeLists.txt:295 (include)

CMake Error at /usr/share/cmake3/Modules/FindOpenMP.cmake:201 (try_compile):
  Failed to open

/home/chenzhou/sob/gromacs-2022.1/build/CMakeFiles/CMakeTmp/CMakeLists.txt

。。。。。。。。。。。。

rpestana94 · 发表于 Post on 2022-4-26 22:16:14

Try installing python using anaconda python, it what I usually do

sobereva · 发表于 Post on 2022-4-27 05:21:33

如置顶的新社员必读贴、论坛首页的公告栏、版头的红色大字非常明确所示，求助帖必须清楚、准确反映出帖子具体内容，避免有任何歧义，仔细看http://bbs.keinsci.com/thread-9348-1-1.html。我已把你的不恰当、连安装的是什么都不写清楚的帖子标题“安装软件问题”改了，以后务必注意

sobereva · 发表于 Post on 2022-4-27 05:23:20

如果非要用2022这么新的gmx，甭用CentOS 7.x，用CentOS 8或Rocky Linux

大头攒毛 · 发表于 Post on 2022-4-27 16:33:10

谢谢sobereva老师，我之后注意发帖格式

lao7 · 发表于 Post on 2022-4-27 19:24:55

编译以依赖库可能不全印象中没有专门安装python的步骤最好联网有时候依赖的东西会自动安装

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[GROMACS] centos7.6里gromacs安装问题