pyscaff 0.1.dev0

Python scaffolding project

Copyright (c) 2023 Jérémie DECOCK (www.jdhp.org)

• Web site: http://www.jdhp.org/software_en.html#pyskf

• Online documentation: https://jdhp-dev.gitlab.io/pyskf

• Examples: https://jdhp-dev.gitlab.io/pyskf/gallery/

• Notebooks: https://gitlab.com/jdhp-dev/pyskf-notebooks

• Source code: https://gitlab.com/jdhp-dev/pyskf

• Issue tracker: https://gitlab.com/jdhp-dev/pyskf/issues

• Pytest code coverage: https://jdhp-dev.gitlab.io/pyskf/htmlcov/index.html

• Py-Skf on PyPI: https://pypi.org/project/pyskf

Description

Python scaffolding project

Note:

This project is still in beta stage, so the API is not finalized yet.

Dependencies

C.f. requirements.txt

Installation (development environment)

Posix (Linux, MacOSX, WSL, …)

From the Py-Skf source code:

conda deactivate         # Only if you use Anaconda...
python3 -m venv env
source env/bin/activate
python3 -m pip install --upgrade pip
python3 -m pip install -r requirements-dev.txt

Windows

From the Py-Skf source code:

conda deactivate         # Only if you use Anaconda...
python3 -m venv env
env\Scripts\activate.bat
python3 -m pip install --upgrade pip
python3 -m pip install -r requirements-dev.txt

Installation (production environment)

python3 -m pip install --no-cache-dir "pyskf @ git+ssh://[e-mail]/jdhp-dev/pyskf.git"

Documentation

• Online documentation: https://jdhp-dev.gitlab.io/pyskf

• API documentation: https://jdhp-dev.gitlab.io/pyskf/api.html

Example usage

• Examples: https://jdhp-dev.gitlab.io/pyskf/gallery/

Build and run the Python Docker image

Build the docker image

From the Py-Skf source code:

docker build -t pyskf:latest .

Run unit tests from the docker container

From the Py-Skf source code:

docker run pyskf pytest

Run an example from the docker container

From the Py-Skf source code:

docker run pyskf python3 /app/examples/hello.py

Bug reports

To search for bugs or report them, please use the Py-Skf Bug Tracker at:

https://gitlab.com/jdhp-dev/pyskf/issues

License

This project is provided under the terms and conditions of the MIT License.