Skip to content

Commit

Permalink
Fix link
Browse files Browse the repository at this point in the history
  • Loading branch information
marvinfriede committed Jan 16, 2024
1 parent 2fb57c1 commit f6988f5
Showing 1 changed file with 10 additions and 10 deletions.
20 changes: 10 additions & 10 deletions README.md
Original file line number Diff line number Diff line change
Expand Up @@ -65,7 +65,7 @@ For alternative implementations, also check out:

*tad-dftd4* can easily be installed with ``pip``.

```bash
```sh
pip install tad-dftd4
```

Expand All @@ -74,23 +74,23 @@ pip install tad-dftd4
This project is hosted on GitHub at [dftd4/tad-dftd4](https://github.com/dftd4/tad-dftd4).
Obtain the source by cloning the repository with

```bash
```sh
git clone https://github.com/dftd4/tad-dftd4
cd tad-dftd4
```

We recommend using a [conda](https://conda.io/) environment to install the package.
You can setup the environment manager using a [mambaforge](https://github.com/conda-forge/miniforge>) installer.
You can setup the environment manager using a [mambaforge](https://github.com/conda-forge/miniforge) installer.
Install the required dependencies from the conda-forge channel.

```bash
```sh
mamba env create -n torch -f environment.yaml
mamba activate torch
```

Install this project with ``pip`` in the environment

```bash
```sh
pip install .
```

Expand All @@ -106,32 +106,32 @@ The following dependencies are required

For development, additionally install the following tools in your environment.

```bash
```sh
mamba install black covdefaults mypy pre-commit pylint pytest pytest-cov pytest-xdist tox
pip install pytest-random-order
```

With pip, add the option ``-e`` for installing in development mode, and add ``[dev]`` for the development dependencies

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

The pre-commit hooks are initialized by running the following command in the root of the repository.

```bash
```sh
pre-commit install
```

For testing all Python environments, simply run `tox`.

```bash
```sh
tox
```

Note that this randomizes the order of tests but skips "large" tests. To modify this behavior, `tox` has to skip the optional *posargs*.

```bash
```sh
tox -- test
```

Expand Down

0 comments on commit f6988f5

Please sign in to comment.