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Refine installation instructions
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AdrianSosic committed Nov 29, 2023
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Expand Up @@ -47,28 +47,41 @@ pip install baybe
conda install --channel=conda-forge baybe
```

### From Repository
A certain released version of the package can installed by specifying the
corresponding version tag in the form `baybe==x.y.z`.

### From GitHub
If you need finer control and would like to install a specific commit that has not been
released under a certain version tag, you can do so by installing BayBE directly from
the repository.
GitHub via git and specifying the corresponding
[git ref](https://pip.pypa.io/en/stable/topics/vcs-support/#git).

For instance, to install the latest commit of the main branch, run:

```bash
pip install git+https://github.com/emdgroup/BayBE.git@main
```


### From Local Clone

Alternatively, you can install the package from your own local copy.
First, clone the repository, navigate to the repository root folder, check out the
desired commit, and run:

```bash
pip install .
```

There are additional dependencies that can be installed corresponding to linters,
formatters etc. (e.g. `dev`). A developer would typically also install the package in
editable mode ('-e') which ensures that changes to the code do not require a
reinstallation.
A developer would typically also install the package in editable mode ('-e'),
which ensures that changes to the code do not require a reinstallation.

```bash
pip install -e '.[dev]'
pip install -e .
```

### Optional Dependencies
There are several dependency groups that can be installed during pip installation, like
There are several dependency groups that can be selected during pip installation, like
```bash
pip install baybe[test,lint] # will install baybe with additional dependency groups `test` and `lint`
```
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