diff --git a/.github/workflows/action_build.yml b/.github/workflows/action_build.yml index a8c777c0..13b5ec29 100644 --- a/.github/workflows/action_build.yml +++ b/.github/workflows/action_build.yml @@ -23,6 +23,7 @@ jobs: - name: Install requirements run: | + pip install --upgrade pip pip install pycodestyle flake8 pydocstyle flake8 --ignore E203,W503 --exclude=examples,tests --statistics --count --exit-zero jarvis pycodestyle --ignore E203,W503 --exclude=examples,testfiles jarvis @@ -148,4 +149,4 @@ jobs: # # git clone https://github.com/QEF/q-e.git # # cd q-e # # ./configure -# # make pw +# # make pw \ No newline at end of file diff --git a/README.md b/README.md index a71cf87f..768f3e7c 100644 --- a/README.md +++ b/README.md @@ -1,3 +1,13 @@ +# JARVIS-Tools + +The JARVIS-Tools is an open-access software package for atomistic +data-driven materials design. JARVIS-Tools can be used for a) setting up +calculations, b) analysis and informatics, c) plotting, d) database +development and e) web-page development. + +Detailed documentation available at: https://pages.nist.gov/jarvis/ + + [![image](https://badge.fury.io/py/jarvis-tools.svg)](https://pypi.org/project/jarvis-tools/) [![image](https://anaconda.org/conda-forge/jarvis-tools/badges/version.svg)](https://anaconda.org/conda-forge/jarvis-tools) [![image](https://img.shields.io/github/v/tag/usnistgov/jarvis)](https://github.com/usnistgov/jarvis) @@ -13,14 +23,4 @@ [![image](https://img.shields.io/badge/JARVIS-Figshare-Green.svg)](https://figshare.com/authors/Kamal_Choudhary/4445539) [![image](https://img.shields.io/badge/JARVIS-ToolsDocs-Green.svg)](https://pages.nist.gov/jarvis) [![image](https://colab.research.google.com/assets/colab-badge.svg)](https://github.com/JARVIS-Materials-Design/jarvis-tools-notebooks) - ------------------------------------------------------------------------- - -# JARVIS-Tools -The JARVIS-Tools is an open-access software package for atomistic -data-driven materials design. JARVIS-Tools can be used for a) setting up -calculations, b) analysis and informatics, c) plotting, d) database -development and e) web-page development. - -Detailed documentation available at: https://pages.nist.gov/jarvis/ diff --git a/docs/index.md b/docs/index.md index 38e614d5..cc2704f2 100644 --- a/docs/index.md +++ b/docs/index.md @@ -125,7 +125,8 @@ videos](https://www.youtube.com/watch?v=P0ZcHXOC6W0&feature=emb_title&ab_channel ## Example function -``` + +``` python from jarvis.core.atoms import Atoms box = [[2.715, 2.715, 0], [0, 2.715, 2.715], [2.715, 0, 2.715]] coords = [[0, 0, 0], [0.25, 0.25, 0.25]] diff --git a/mkdocs.yml b/mkdocs.yml index 99b4811f..d8e60495 100644 --- a/mkdocs.yml +++ b/mkdocs.yml @@ -262,7 +262,7 @@ theme: extra: analytics: provider: google - property: G-0HPG8D56KJ + property: G-QBKG1JE5QF # +------------------------------------------------------------------------------------------------------+ # | | diff --git a/overrides/main.html b/overrides/main.html index 479ce26e..d3269e0c 100644 --- a/overrides/main.html +++ b/overrides/main.html @@ -8,13 +8,13 @@ --> - + {% endblock %}