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标题: centos7.6里gromacs安装问题 [打印本页]

作者
Author:
大头攒毛    时间: 2022-4-26 20:45
标题: centos7.6里gromacs安装问题
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

。。。。。。。。。。。。



作者
Author:
rpestana94    时间: 2022-4-26 22:16
Try installing python using anaconda python, it what I usually do
作者
Author:
sobereva    时间: 2022-4-27 05:21
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
作者
Author:
sobereva    时间: 2022-4-27 05:23
如果非要用2022这么新的gmx,甭用CentOS 7.x,用CentOS 8或Rocky Linux
作者
Author:
大头攒毛    时间: 2022-4-27 16:33
谢谢sobereva老师,我之后注意发帖格式
作者
Author:
lao7    时间: 2022-4-27 19:24
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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