From a25cb7c6a955c7f034a9940a9983eec97066b44d Mon Sep 17 00:00:00 2001 From: Markus Rosenstihl <1+markusro@noreply.localhost> Date: Mon, 21 Sep 2026 18:00:12 +0000 Subject: [PATCH] Added uv install instructions --- README.md | 13 ++++++------- 1 file changed, 6 insertions(+), 7 deletions(-) diff --git a/README.md b/README.md index 1acf954..4a2b916 100644 --- a/README.md +++ b/README.md @@ -26,13 +26,6 @@ time, msd = md.correlation.shifted_correlation( ## Installation -=== DEPRECATED: 2025-08-19 === -The package requires the Python package [pygmx](https://github.com/mdevaluate/pygmx), -which handles reading of Gromacs file formats. -Installation of pygmx is described in its own repository. -=== DEPRECATED: 2025-08-19 === - -The package requires the Python package [pygmx](https://github.com/mdevaluate/pygmx), The mdevaluate package itself is plain Python code and, hence, can be imported from its directory directly, or may be installed via setuptools to the local Python environment by running @@ -40,6 +33,12 @@ or may be installed via setuptools to the local Python environment by running python setup.py install +When you are using `uv` you can install it with: + + uv venv some_folder + source some_folder/bin/activate + uv pip install https://gitea.pkm.physik.tu-darmstadt.de/IPKM/mdevaluate.git + ## Running the tests Mdevaluate includes a test suite that can be used to check if the installation was succesful.