apply corrections to i-PI package on PyPi

This commit is contained in:
Axel Kohlmeyer
2024-05-29 08:51:53 -04:00
parent 1a83fefc70
commit 10d09aca74
3 changed files with 5 additions and 5 deletions

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@ -151,7 +151,7 @@ and allow running LAMMPS with GPU acceleration.
i-PI tool
---------
.. deprecated:: TBD
.. versionchanged:: TBD
The i-PI tool has been removed from the LAMMPS distribution. Instead,
instructions to install i-PI from PyPi via pip are provided.

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@ -383,14 +383,14 @@ i-PI tool
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.
removed in 06/2024.
The i-PI package was created and is maintained by Michele Ceriotti,
michele.ceriotti at gmail.com, to interface to a variety of molecular
dynamics codes.
i-PI is now available via PyPi using the pip package manager at:
https://pypi.org/project/i-PI/
https://pypi.org/project/ipi/
Here are the commands to set up a virtual environment and install
i-PI into it with all its dependencies.
@ -400,7 +400,7 @@ i-PI into it with all its dependencies.
python -m venv ipienv
source ipienv/bin/activate
pip install --upgrade pip
pip install i-PI
pip install ipi
To install the development version from GitHub, please use:

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@ -88,7 +88,7 @@ the pip package manager.
python -m venv ipienv
source ipienv/bin/activate
pip install --upgrade pip
pip install i-PI
pip install ipi
Restart, fix_modify, output, run start/stop, minimize info
"""""""""""""""""""""""""""""""""""""""""""""""""""""""""""