Metadata-Version: 2.1
Name: atompack
Version: 0.3.0
Summary: A flexible Python library for atomic structure generation.
Home-page: https://github.com/seatonullberg/atompack
Author: Seaton Ullberg
Author-email: seatonullberg@gmail.com
License: MIT License
Description: # atompack
        A flexible Python library for atomic structure generation.
        https://seatonullberg.github.io/atompack/
        
        ## Installation
        
        ### Download from [PyPI](https://pypi.org/project/atompack/)
        
        This is the best method for end users.
        
        ```bash
        $ python3 -m pip install atompack
        ```
        
        ### Build from source
        
        This is the best method for contributors or anyone who is interested in modifying the code.
        
        #### 1. Clone the source code with `git`:
        
        ```bash
        $ git clone https://github.com/seatonullberg/atompack.git
        $ cd atompack
        ```
        
        #### 2. Compile the C extensions:
        
        ```bash
        $ python3 setup.py build_ext --inplace
        ```
        
        The following steps can be done with either `pipenv` or `pip`. I recommend using `pipenv`. If you're not familiar with the benefits of using `pipenv`, educate yourself here: https://pipenv-fork.readthedocs.io/en/latest/.
        
        #### 3. Download the dependencies and install as editable:
        
        For `pipenv` users:
        
        ```bash
        $ pipenv install --dev
        ```
        
        For `pip` users:
        
        ```bash
        $ python3 -m pip install -e . [dev]
        ```
        
        #### 4. Verify that all tests pass:
        
        For `pipenv` users:
        
        ```bash
        $ pipenv run pytest --doctest-modules -v ./atompack ./tests
        ```
        
        For `pip` users:
        
        ```bash
        $ python3 -m pytest --doctest-modules -v ./atompack ./tests
        ```
        
        All done!
Platform: UNKNOWN
Description-Content-Type: text/markdown
Provides-Extra: dev
