From 37b2fc1fcf3ec3b0ebb1c7971f4d995bd03877b8 Mon Sep 17 00:00:00 2001 From: Giovanni Pizzi Date: Wed, 14 Feb 2024 12:43:52 +0100 Subject: [PATCH] Fixing some details after schema change --- codes.yaml | 19 +++++++++++++------ src/code_registry/web.py | 9 ++++++++- 2 files changed, 21 insertions(+), 7 deletions(-) diff --git a/codes.yaml b/codes.yaml index ca80c1e..1c90b9b 100644 --- a/codes.yaml +++ b/codes.yaml @@ -5,8 +5,9 @@ YAMBO: metadata: description: | A FORTRAN/C code for Many-Body calculations in solid state and molecular physics. - documentation_url: https://www.yambo-code.eu/wiki/index.php/Main_Page title: Yambo + homepage_url: https://www.yambo-code.eu + documentation_url: https://www.yambo-code.eu/wiki/index.php/Main_Page sourcecode_url: https://github.com/yambo-code/yambo.git logo: https://fresh.yambo-code.eu/wp-content/uploads/2023/02/yambo_logo_overlay.svg @@ -16,6 +17,7 @@ Quantum ESPRESSO: metadata: description: | Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory, density-functional perturbation theory, and many-body perturbation theory, within the plane-wave pseudo-potential and projector-augmented-wave approaches + homepage_url: https://www.quantum-espresso.org sourcecode_url: https://gitlab.com/QEF/q-e documentation_url: https://www.quantum-espresso.org/documentation/ title: Quantum ESPRESSO @@ -61,9 +63,10 @@ pythtb: metadata: description: | Simple solver for tight binding models for use in condensed matter physics and materials science. - sourcecode_url: https://pypi.org/project/pythtb/ - documentation_url: https://www.physics.rutgers.edu/pythtb/usage.html#pythtb.w90 title: PythTB + homepage_url: https://www.physics.rutgers.edu/pythtb/ + documentation_url: https://www.physics.rutgers.edu/pythtb/usage.html#pythtb.w90 + sourcecode_url: https://pypi.org/project/pythtb/ logo: https://www.physics.rutgers.edu/pythtb/_images/graphene.png tbmodels: @@ -73,9 +76,10 @@ tbmodels: metadata: description: | Bmodels is a Python package for evaluating tight-binding models. It features methods for reading and writing tight-binding models to various formats, and evaluating the Hamiltonian and eigenvalues of the system. It is considerably faster than comparable packages, enabling it to handle first-principles derived tight-binding models. + title: TBmodels + homepage_url: https://tbmodels.greschd.ch sourcecode_url: https://github.com/Z2PackDev/TBmodels documentation_url: https://tbmodels.greschd.ch/en/latest/tutorial.html#id3 - title: TBmodels logo: https://tbmodels.greschd.ch/en/latest/_images/tbmodels_logo.jpg z2pack: @@ -84,6 +88,7 @@ z2pack: metadata: description: | Z2Pack automates the calculation of topological numbers of band-structures. It works with first-principles calculations (z2pack.fp), tight-binding models (z2pack.tb) and explicit Hamiltonian matrices (z2pack.hm). + homepage_url: https://z2pack.greschd.ch/ sourcecode_url: https://github.com/Z2PackDev/Z2Pack documentation_url: https://z2pack.greschd.ch/ title: Z2Pack @@ -96,9 +101,10 @@ wanniertools: metadata: description: | An open-source software package for novel topological materials. - sourcecode_url: https://github.com/quanshengwu/wannier_tools - documentation_url: http://www.wanniertools.com/# title: WannierTools + sourcecode_url: https://github.com/quanshengwu/wannier_tools + homepage_url: http://www.wanniertools.com/ + documentation_url: http://www.wanniertools.com/ logo: https://github.com/quanshengwu/wannier_tools/raw/master/wt-logo.jpg wannierberri: @@ -123,6 +129,7 @@ strawberrypy: StraWBerryPy (Single-poinT and local invaRiAnts for Wannier Berriologies in Python) is a Python package to calculate topological invariants and quantum-geometrical quantities in non-crystalline topological insulators. sourcecode_url: https://github.com/strawberrypy-developers/strawberrypy documentation_url: https://strawberrypy.readthedocs.io/en/latest/ + homepage_url: https://strawberrypy.readthedocs.io title: StraWBerryPy logo: https://strawberrypy.readthedocs.io/en/latest/_static/logo.png diff --git a/src/code_registry/web.py b/src/code_registry/web.py index ba7df79..cedb3bc 100644 --- a/src/code_registry/web.py +++ b/src/code_registry/web.py @@ -116,7 +116,14 @@ def build_from_config(config: Config): ) # Generate the aggregated codes metadata registry. - codes_meta = generate_codes_meta(data=data, schema=None) # schemas.codes_meta) + # NOTE: if you want to change the schema, you need to replace below once + # `schema=None`, then push on GitHub so the deploy GitHub action runs and + # deploy the schema on GitHub pages. At this point, the schema validation + # (that checks the JSONschema files online, i.e., the deployed ones on + # GitHub) will work again. + # Put back `schema=schemas.codes_meta`, test locally that it works, and + # then push to GitHub. + codes_meta = generate_codes_meta(data=data, schema=schemas.codes_meta) # Remove previous build (if present).