{"id":18412398,"url":"https://github.com/abinit/abitutorials","last_synced_at":"2026-04-07T19:31:01.983Z","repository":{"id":144814943,"uuid":"106296881","full_name":"abinit/abitutorials","owner":"abinit","description":"Abinit tutorials based on AbiPy","archived":false,"fork":false,"pushed_at":"2022-03-30T14:01:42.000Z","size":65991,"stargazers_count":18,"open_issues_count":1,"forks_count":15,"subscribers_count":4,"default_branch":"master","last_synced_at":"2025-10-24T20:53:42.267Z","etag":null,"topics":["abinit","abipy","density-functional-theory","exercise","python","tutorials"],"latest_commit_sha":null,"homepage":"https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/index.ipynb","language":"Jupyter Notebook","has_issues":true,"has_wiki":null,"has_pages":null,"mirror_url":null,"source_name":null,"license":"gpl-2.0","status":null,"scm":"git","pull_requests_enabled":true,"icon_url":"https://github.com/abinit.png","metadata":{"files":{"readme":"README.md","changelog":null,"contributing":null,"funding":null,"license":"LICENSE","code_of_conduct":null,"threat_model":null,"audit":null,"citation":null,"codeowners":null,"security":null,"support":null,"governance":null,"roadmap":null,"authors":null,"dei":null,"publiccode":null,"codemeta":null}},"created_at":"2017-10-09T14:50:40.000Z","updated_at":"2025-08-01T01:00:58.000Z","dependencies_parsed_at":null,"dependency_job_id":"a18ea925-3b87-4ae5-a423-f50dc375d348","html_url":"https://github.com/abinit/abitutorials","commit_stats":null,"previous_names":[],"tags_count":0,"template":false,"template_full_name":null,"purl":"pkg:github/abinit/abitutorials","repository_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/abinit%2Fabitutorials","tags_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/abinit%2Fabitutorials/tags","releases_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/abinit%2Fabitutorials/releases","manifests_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/abinit%2Fabitutorials/manifests","owner_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners/abinit","download_url":"https://codeload.github.com/abinit/abitutorials/tar.gz/refs/heads/master","sbom_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/abinit%2Fabitutorials/sbom","scorecard":null,"host":{"name":"GitHub","url":"https://github.com","kind":"github","repositories_count":286080680,"owners_count":31526665,"icon_url":"https://github.com/github.png","version":null,"created_at":"2022-05-30T11:31:42.601Z","updated_at":"2026-04-07T16:28:08.000Z","status":"ssl_error","status_checked_at":"2026-04-07T16:28:06.951Z","response_time":105,"last_error":"SSL_connect returned=1 errno=0 peeraddr=140.82.121.5:443 state=error: unexpected eof while reading","robots_txt_status":"success","robots_txt_updated_at":"2025-07-24T06:49:26.215Z","robots_txt_url":"https://github.com/robots.txt","online":false,"can_crawl_api":true,"host_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub","repositories_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories","repository_names_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/repository_names","owners_url":"https://repos.ecosyste.ms/api/v1/hosts/GitHub/owners"}},"keywords":["abinit","abipy","density-functional-theory","exercise","python","tutorials"],"created_at":"2024-11-06T03:41:29.255Z","updated_at":"2026-04-07T19:31:01.966Z","avatar_url":"https://github.com/abinit.png","language":"Jupyter Notebook","readme":"[![Nbviewer](https://img.shields.io/badge/render-nbviewer-orange.svg)](https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/index.ipynb)\n[![Binder](https://mybinder.org/badge.svg)](https://mybinder.org/v2/gh/abinit/abitutorials/master)\n[![Build Status](https://travis-ci.org/abinit/abitutorials.svg?branch=master)](https://travis-ci.org/abinit/abitutorials)\n\n[![Coverage Status](https://coveralls.io/repos/github/abinit/abitutorials/badge.svg?branch=master)](https://coveralls.io/github/abinit/abitutorials?branch=master)\n\n[Index of jupyter notebooks](https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/index.ipynb)\n\nAbout\n=====\n\nThis repository contains notebook-based documentation for [AbiPy](https://github.com/abinit/abipy).\nThis augments our Sphinx-based [documentation](http://pythonhosted.org/abipy/) with jupyter notebooks \ncontaining interactive tutorials and examples.\nAdditional examples are available on the:\n\n* [AbiPy plot gallery](http://abinit.github.io/abipy/gallery/index.html)\n* [AbiPy flow gallery](http://abinit.github.io/abipy/flow_gallery/index.html)\n* [Matgenb website](https://matgenb.materialsvirtuallab.org/)\n\nHow to use the tutorials\n========================\n\nThe repository contains the input required to run the lessons on Abipy, as well as the input files,\nthe main output in text format and the netcdf files. The workhorse of these tutorials are so-called 'jupyter notebooks'.\nThere are several options available to you depending on the software installed on your machine.\n\nYou can:\n\n1. Follow the tutorial using the static \n   [HTML version](https://nbviewer.jupyter.org/github/abinit/abitutorials/blob/master/abitutorials/index.ipynb),\n   and look at the input/output files in jupyter notebooks in the github repository **without installing** AbiPy and Abinit.\n\n2. Click the **Launch Binder** badge to start a Docker image.\n   The image contains Abinit, AbiPy and all the other python dependencies\n   required to run the code inside the jupyter notebooks.\n   The notebook will be opened in your browser after building.\n   Go into the `abitutorials` directory and click the `index.ipynb` file to open the index file.\n   Select e.g. the `Structure` notebook and start to run the python code in the jupyter cells\n   (select the cell and click the `Run` button). \n   See also the other options available in the `Cell` tab.\n\n3. Install AbiPy, Abinit and Jupyter on your machine (see later) and use the python scripts as well as the netcdf files \n   in the github repository (you also need git), like a real pythonista. You will need to execute the jupyter notebooks, and thus \n   install all the required dependencies: python, jupyter, abipy, abinit  and obviously a web browser (DOH!).\n\nOf course, choosing between these options depends on what is your actual interest with Abipy.\nYou might only be interested in getting a flavour of how to use Abipy (or what are these Abipy tutorials), without actually using Abipy.\nThen options 1 or 2 are convenient.\n\nHowever, if you really plan to use Abipy, we suggest you choose 2 or 3. Really running the examples is the most efficient use of the tutorial.\nOf course, in order to use Abipy, you will obviously need to install it, as well as to install abinit. \nChoosing 2 only spare you the possible trouble of installing jupyter. The installation of Abipy and abinit (also using git) in a coherent way\nis presented in the [Abipy README on Github](https://github.com/abinit/abipy), \nor in [the stable version of the Abipy doc](https://pythonhosted.org/abipy/installation.html),  \nor in [the develop version of the Abipy doc](https://abinit.github.io/abipy/installation.html). \n\nIf you opt for option 3, after installing jupyter as described below, in addition to AbiPy and abinit, you will have to\nopen the notebook in your browser \n\n    jupyter notebook FILE.ipynb\n\nwhere FILE.ipynb is one the ipython notebooks available inside the `abitutorials` directory. \nTo open, for instance, the notebook for the first lesson, use:\n\n    cd abitutorials\n    jupyter notebook base1/lesson_base1.ipynb\n\nAccessing the notebooks and installing jupyter\n==============================================\n\nFirst step, download the abitutorials\n\n    git clone https://github.com/abinit/abitutorials\n\nIn case you followed the conda way to [install Abipy and abinit](https://github.com/abinit/abipy), \nthe installation of jupyter is very simple.\nBe sure to install it *in the same conda environment* as Abipy and abinit, though.\n\nInside the *abitutorials* directory, issue\n\n    conda install --file ./requirements.txt\n\nThen, you might also like to install some other python packages, that are used in selected tutorials or for specific abipy commands.\nAmong the list, graphviz and python-graphviz, in order to allow the full visualization of figures in the tutorials,\nand pybtex if you want to extract references from CIF files .\n\n    conda install graphviz\n    conda install python-graphviz \n    conda install pybtex\n\nMore detailed instructions on how to install with conda are available\nin the [abiconda](https://github.com/abinit/abiconda) documentation.\n\nAs an alternative to conda, you can use [pip](https://pip.pypa.io/en/stable/) to install python code for jupyter with:\n\n    pip install jupyter abipy\n\nNote, however, that you may need to compile from source some of the low-level dependencies\nincluding the Abinit executable so the entire process could require some time,\nbesides your machine must provide a sane environment to build Fortran/C/C++ code, possibly with MPI support.\n\nIf you love building software from source, feel free to use this approach and \nuse the configuration examples available on the [abiconfig repository](https://github.com/abinit/abiconda)\nto build Abinit on your machine/cluster.\n\nAfter installing jupyter, we can launch one of the notebooks as described above.\n\nAs a test of the coherent installation of AbiPy and abinit, select one of the directory with a lesson_*.py script e.g. sigeph/lesson_sigeph.py.\nRead the corresponding README.md file. Then look at the python script and use:\n\n    ./lesson_sigeph.py\n\nto run the flow automatically or \n\n    ./lesson_sigeph.py --help\n\nto get the list of supported options.\n\nTIP:\n\nAll the AbiPy scripts start with the `abi` prefix. \nJust type:\n\n    abi + \u003cTAB\u003e \n    \nin the shell to get the list of possible scripts.\nPlease consult the [AbiPy documentation](http://abinit.github.io/abipy/index.html) for further details.\n","funding_links":[],"categories":[],"sub_categories":[],"project_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fabinit%2Fabitutorials","html_url":"https://awesome.ecosyste.ms/projects/github.com%2Fabinit%2Fabitutorials","lists_url":"https://awesome.ecosyste.ms/api/v1/projects/github.com%2Fabinit%2Fabitutorials/lists"}