diff --git a/doc/src/Tools.rst b/doc/src/Tools.rst
index 49022a4ee9..f7c227e621 100644
--- a/doc/src/Tools.rst
+++ b/doc/src/Tools.rst
@@ -90,7 +90,7 @@ Miscellaneous tools
 
    * :ref:`LAMMPS coding standards <coding_standard>`
    * :ref:`emacs <emacs>`
-   * :ref:`i-pi <ipi>`
+   * :ref:`i-PI <ipi>`
    * :ref:`kate <kate>`
    * :ref:`LAMMPS shell <lammps_shell>`
    * :ref:`LAMMPS GUI <lammps_gui>`
@@ -376,21 +376,36 @@ See README file in the tools/fep directory.
 
 .. _ipi:
 
-i-pi tool
+i-PI tool
 -------------------
 
-The tools/i-pi directory contains a version of the i-PI package, with
-all the LAMMPS-unrelated files removed.  It is provided so that it can
-be used with the :doc:`fix ipi <fix_ipi>` command to perform
-path-integral molecular dynamics (PIMD).
+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+This version, however, was not updated and thus have become outdated.
 
 The i-PI package was created and is maintained by Michele Ceriotti,
 michele.ceriotti at gmail.com, to interface to a variety of molecular
 dynamics codes.
 
-See the tools/i-pi/manual.pdf file for an overview of i-PI, and the
-:doc:`fix ipi <fix_ipi>` page for further details on running PIMD
-calculations with LAMMPS.
+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.
+
+.. code-block:: sh
+
+   python -m venv ipienv
+   source ipienv/bin/activate
+   pip install --upgrade pip
+   pip install i-PI
+
+To install the development version from GitHub, please use:
+
+.. code-block:: sh
+
+   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).
 
 ----------
 
diff --git a/doc/src/fix_ipi.rst b/doc/src/fix_ipi.rst
index 7705f211e8..8a1f392137 100644
--- a/doc/src/fix_ipi.rst
+++ b/doc/src/fix_ipi.rst
@@ -39,10 +39,17 @@ wrapper :ref:`(IPI) <ipihome>` for performing a path integral molecular dynamics
 (PIMD) simulation.  The philosophy behind i-PI is described in the
 following publication :ref:`(IPI-CPC) <IPICPC>`.
 
-A version of the i-PI package, containing only files needed for use
-with LAMMPS, is provided in the tools/i-pi directory.  See the
-tools/i-pi/manual.pdf for an introduction to i-PI.  The
-examples/PACKAGES/i-pi directory contains example scripts for using i-PI
+Here are the commands to set up a virtual environment and install i-PI
+into it with all its dependencies via the PyPi repository and the pip package manager.
+
+.. code-block:: sh
+
+   python -m venv ipienv
+   source ipienv/bin/activate
+   pip install --upgrade pip
+   pip install i-PI
+
+The examples/PACKAGES/i-pi directory contains example scripts for using i-PI
 with LAMMPS.
 
 In brief, the path integral molecular dynamics is performed by the