# Developer Installation

Install autoplex from source, by cloning the repository via [github](https://github.com/JaGeo/autoplex.git)

**For Python 3.10**

```bash
git clone https://github.com/autoatml/autoplex.git
cd autoplex
pip install "scikit-build-core<0.10"
pip install setuptools-scm>=8.0 nanobind
pip install --no-build-isolation phonopy==2.30.1
pip install -e .[strict-base,dev,tests,docs]
```

**For Python>3.10**

```bash
git clone https://github.com/autoatml/autoplex.git
cd autoplex
pip install -e .[strict-base,dev,tests,docs]
```

Note that this command will only install autoplex will dependencies needed for GAP MLIPs, for tests, pre-commit and docs building. 
However, note that non-python programs like `buildcell`, `lammps` and `julia` needed for ACE potential fitting 
will not be installed with above command. One needs to install these separately. 
See the [installation guide](../user/installation/installation.md) for more information on options available for fitting other currently supported MLIPs.


Alternatively, one can use the `devcontainer` provided to have your developer environment setup automatically in your IDE. It has been tested to work in [VSCode](https://code.visualstudio.com/docs/devcontainers/containers#_quick-start-open-an-existing-folder-in-a-container) and [PyCharm](https://blog.jetbrains.com/pycharm/2023/06/2023-2-eap-4/). 
Only prerequisite is one has [docker](https://docs.docker.com/get-started/get-docker/) installed on the system as it uses the published docker images to create this developer env.
One can also simply use [GitHub Codespaces](https://github.com/features/codespaces) to use the devcontainer.
The codespaces environment will have all the required dependencies installed.


## Running unit tests

Unit tests can be run from the source folder using `pytest`. 

```bash
pytest
```
This will run all the tests.

To get a detailed report of test coverage you can use following command
```bash
pytest --cov=autoplex --cov-report term-missing --cov-append
```

If you feel test execution takes too long locally, you can speedup the execution using [pytest-xdist](https://pypi.org/project/pytest-xdist/). Install this in library in your environment using

```bash
pip install pytest-xdist
```

Once installed, you can now use multiple processors to run your tests. For example, if you want to use 8 processors to run tests in parallel, run

```bash
pytest -n 8
```

## Troubleshooting stuck tests

Incase your test execution get stuck, try adding the prefix `OMP_NUM_THREADS=1` before pytest. Below is an example snippet

```bash
OMP_NUM_THREADS=1 pytest
```

## Building the documentation locally

The autoplex documentation can be built using the sphinx package.

The docs can be built to the `_build` directory:

```bash
sphinx-build -W docs _build
```