The core P SI4 build requires the software below. What are the tools and dependencies strictly required for building Psi4 ¶ How to run Psi4 as Python module after compilation How to run Psi4 as executable after compilation To run P SI4 after installation, you need to configure a few variables: This section outlines the main steps of configuring, compiling, and How to build and install Psi4, the compact version ¶ Options are not to your taste, use the links within coreĭependencies and add-on dependencies to plan a set of arguments to cmake tailored toĭetailed build. Should this happy scenario not come to pass, or if the default build Make or Ninja in the new build directory. B objdir without any further arguments, and it will invoke cmake,ĭetect some appropriate defaults, configure the build, create a buildĭirectory objdir, and complete, leaving you to only invoke So it’s very possible thatįrom top-level-psi4-dir source directory, you can call cmake -S. An abbreviated build guide can be foundĬMake does a good job scanning your computer to locate libraries, headerįiles, and executables needed for compilation. Planning: how to configure Psi4 and invoke CMake ¶ Performance-tuned, and available for all common operating systems, For pre-built binaries again well-tested, For a specific, well-tested,Īnd performance-tuned build path, see /installs/latest Sysadmins) are expected to read this file as it is a broad guide to the This section fulfills the duty of every Linux project to have an INSTALLįile detailing how to build it from source.
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