From 4c36c86e14b25e8c6fd9859998eb713820ec5f5e Mon Sep 17 00:00:00 2001 From: Qiming Sun Date: Wed, 30 Oct 2024 08:57:04 -0700 Subject: [PATCH] update README.md --- README.md | 9 ++++++++- 1 file changed, 8 insertions(+), 1 deletion(-) diff --git a/README.md b/README.md index 93c8cb1..e3d6b2c 100644 --- a/README.md +++ b/README.md @@ -86,7 +86,8 @@ pyscf-forge └── kuhf.py ``` -4. There may exist scenarios that the directory you plan to create already exists within `pyscf`. +### Path Conflicts +There may exist scenarios that the directory you plan to create already exists within `pyscf`. For example, if you want to add a new method, like `pp_rpa.py`, to the `pyscf/tdscf` folder, this could conflict with the existing `pyscf.tdscf` module in the pyscf core repository. Adding features to existing modules requires more complex configuration. @@ -128,3 +129,9 @@ pyscf-forge └── tdscf // no __init__.py file in pyscf-forge └── pp_rpa.py ``` + +When installing the `pyscf-forge` wheels using `pip install` in the normal +installation mode, the `pp_rpa.py` file will be added to the `pyscf/tdscf` +folder, integrating seamlessly as part of the regular `pyscf` module. +After this standard installation, there is no need to adjust the `__path__` +attribute, as all features and modules are located within the same directory.