diff --git a/doc/src/Tools.rst b/doc/src/Tools.rst index f7c227e621..233d0ca8d4 100644 --- a/doc/src/Tools.rst +++ b/doc/src/Tools.rst @@ -379,8 +379,11 @@ See README file in the tools/fep directory. i-PI tool ------------------- -The tools/i-pi directory used to contain a version of the i-PI package. -This version, however, was not updated and thus have become outdated. +.. versionchanged:: TBD + +The tools/i-pi directory used to contain a bundled version of the i-PI +software package for use with LAMMPS. This version, however, was +removed in 05/2024. The i-PI package was created and is maintained by Michele Ceriotti, michele.ceriotti at gmail.com, to interface to a variety of molecular @@ -389,8 +392,8 @@ dynamics codes. i-PI is now available via PyPi using the pip package manager at: https://pypi.org/project/i-PI/ -Here are the commands to set up a virtual environment and install i-PI -into it with all its dependencies. +Here are the commands to set up a virtual environment and install +i-PI into it with all its dependencies. .. code-block:: sh @@ -405,7 +408,8 @@ To install the development version from GitHub, please use: pip install git+https://github.com/i-pi/i-pi.git -For further information, please consult the [i-PI home page](https://ipi-code.org). +For further information, please consult the [i-PI home +page](https://ipi-code.org). ---------- diff --git a/tools/i-pi/README.md b/tools/i-pi/README.md index 9fba2eeeb2..95c7d7a212 100644 --- a/tools/i-pi/README.md +++ b/tools/i-pi/README.md @@ -1,11 +1,11 @@ -This folder used to contain a bundled version of [i-PI](https://ipi-code.org). -However, the bundled version was not updated and thus had become outdated. +This folder used to contain a bundled version of [i-PI](https://ipi-code.org) +but the bundled version was removed in 05/2024. -i-PI is now available via PyPi using the pip package manager at: +i-PI is available via PyPi using the pip package manager at: https://pypi.org/project/i-PI/ -Here are the commands to set up a virtual environment and install i-PI -into it with all its dependencies. +Here are the commands to set up a virtual environment and +install i-PI into it with all its dependencies. ``` sh python -m venv ipienv @@ -14,4 +14,5 @@ pip install --upgrade pip pip install i-PI ``` -For further information, please consult the [i-PI home page](https://ipi-code.org). +For further information and other methods of installing i-PI, +please consult the [i-PI home page](https://ipi-code.org).