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Paths for Software Porting

This chapter describes the software installation paths involved in the Psi4 software porting.

Table 1 Paths for software porting

No.

Software Installation Path

Description

Remarks

1

/path/to/KPGCC

Installation path of GCC for openEuler.

See "GCC for openEuler Installation and Operation" in User Guide (GCC for openEuler).

2

/path/to/HMPI

Installation path of Hyper MPI.

See Hyper MPI 1.1.0 Operation Guide.

3

/path/to/PSI4

Installation path of Psi4.

The installation paths provided here are only an example. Shared paths are recommended. All the paths used in the commands in this document are examples only. Use the actual paths planned during the installation process.

4

/path/to/CMAKE

Installation path of CMake.

5

/path/to/OPENBLAS

Installation path of OpenBLAS.

6

/path/to/GAU2GRID

Installation path of gau2grid.

7

/path/to/LIBINT

Installation path of Libint.

8

/path/to/LIBXC

Installation path of Libxc.

9

/path/to/PYBIND11

Installation path of pybind11.