IPKM/mdevaluate
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Added uv install instructions

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markusro
2026-09-21 18:00:12 +00:00
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README.md
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@@ -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.