How can I compile CASTEP in Linux?

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SUMMARY

Compiling CASTEP on Linux requires navigating to the top directory of the source code and executing the "make" command. Pre-compiled executables may be available, but if they are not, the compilation process will identify any missing dependencies and provide guidance on resolving them. Users should refer to the install-readme file located on the CASTEP website for detailed instructions. This process is essential for users looking to utilize CASTEP directly in a Linux environment.

PREREQUISITES
  • Familiarity with Linux command line operations
  • Understanding of the "make" build automation tool
  • Knowledge of software dependencies and how to resolve them
  • Access to the CASTEP source code and installation files
NEXT STEPS
  • Research the specific dependencies required for compiling CASTEP on Linux
  • Learn about the "make" command and its options for building software
  • Explore the CASTEP website for additional documentation and resources
  • Investigate troubleshooting techniques for common compilation errors in Linux
USEFUL FOR

Researchers, computational chemists, and materials scientists who wish to compile and run CASTEP directly on Linux systems.

castep_nut
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I've been using CASTEP via materials studio but want to use it directly in linux. How do you go about compiling it ? I've got the disc darsbury sent me but the readme file is inpenetrable. Help would be greatly appreciated. Thanks
 
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I believe pre-compiled executables should be included, but if not or you want to compile it "cd" to the top directory and typing "make" should give you the scripts for different platforms (GNU-like install). It has a number of dependencies but the install script will complain if you don't have them installed and point you to the source of the problem. You can probably find the install-readme file somewhere in the Castep site.
 
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