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Fixing some details after schema change
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giovannipizzi committed Feb 14, 2024
1 parent 8baa5c5 commit 37b2fc1
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19 changes: 13 additions & 6 deletions codes.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -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

Expand All @@ -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
Expand Down Expand Up @@ -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:
Expand All @@ -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:
Expand All @@ -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
Expand All @@ -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:
Expand All @@ -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

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9 changes: 8 additions & 1 deletion src/code_registry/web.py
Original file line number Diff line number Diff line change
Expand Up @@ -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).

Expand Down

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