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 ## 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, 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 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 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 ## Running the tests
Mdevaluate includes a test suite that can be used to check if the installation was succesful. Mdevaluate includes a test suite that can be used to check if the installation was succesful.