From 24def98d92afb02cc21c049afe1383bfb2536fcb Mon Sep 17 00:00:00 2001 From: Daniel Hollas Date: Tue, 26 Nov 2024 16:46:24 +0000 Subject: [PATCH] Update aiidalab package (#138) * Update aiidalab to 24.9.0, fixes #103 * Update CI * Update links in README * Remove python pre-commit hooks --- .github/workflows/ci.yml | 8 ++++---- .github/workflows/deploy.yml | 10 +++++----- .pre-commit-config.yaml | 14 ++------------ README.md | 10 +++++----- requirements.txt | 5 ++--- setup.cfg | 6 ------ 6 files changed, 18 insertions(+), 35 deletions(-) delete mode 100644 setup.cfg diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 7820bc82..bf1a4f6e 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -12,12 +12,12 @@ jobs: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v2 + - uses: actions/checkout@v4 - - name: Set up Python 3.10 - uses: actions/setup-python@v2 + - name: Set up Python 3.11 + uses: actions/setup-python@v5 with: - python-version: "3.10" + python-version: "3.11" - name: Install dependencies run: | diff --git a/.github/workflows/deploy.yml b/.github/workflows/deploy.yml index 42341687..cec24227 100644 --- a/.github/workflows/deploy.yml +++ b/.github/workflows/deploy.yml @@ -17,11 +17,11 @@ jobs: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v2 - - name: Set up Python 3.10 - uses: actions/setup-python@v2 + - uses: actions/checkout@v4 + - name: Set up Python 3.11 + uses: actions/setup-python@v5 with: - python-version: "3.10" + python-version: "3.11" - name: Install dependencies run: | @@ -34,7 +34,7 @@ jobs: "${GITHUB_WORKSPACE}/build.sh" cp -r "${GITHUB_WORKSPACE}/build/" ${{ runner.temp }}/ - - uses: actions/checkout@v2 + - uses: actions/checkout@v4 with: ref: 'gh-pages' diff --git a/.pre-commit-config.yaml b/.pre-commit-config.yaml index ea6a60d6..5d5c47ee 100644 --- a/.pre-commit-config.yaml +++ b/.pre-commit-config.yaml @@ -3,20 +3,10 @@ ci: autoupdate_schedule: quarterly repos: - - repo: https://github.com/psf/black - rev: 24.3.0 - hooks: - - id: black - language_version: python3 # Should be a command that runs python3.6+ - - - repo: https://github.com/PyCQA/flake8 - rev: '7.0.0' - hooks: - - id: flake8 - args: [--count, --show-source, --statistics] - repo: https://github.com/pre-commit/pre-commit-hooks - rev: 'v4.5.0' + rev: 'v4.6.0' hooks: + - id: check-yaml - id: pretty-format-json args: [--autofix, --no-ensure-ascii, --indent=4, --top-keys, '$schema,$id,type,properties'] diff --git a/README.md b/README.md index 756b687f..8f7b3ac5 100644 --- a/README.md +++ b/README.md @@ -1,6 +1,6 @@ # AiiDAlab Application Registry -This repository contains the **database** of the official App registry for [AiiDAlab](https://www.materialscloud.org/aiidalab). +This repository contains the **database** of the official App registry for [AiiDAlab](https://aiidalab.net).

@@ -10,7 +10,7 @@ This repository contains the **database** of the official App registry for [AiiD ## How to add an app to the registry -Simply propose a change to the [apps.yaml](https://github.com/aiidalab/aiidalab-registry/blob/master/apps.yaml) file in this repository and add an entry for your app, for example: +Propose a change to the [apps.yaml](https://github.com/aiidalab/aiidalab-registry/blob/master/apps.yaml) file in this repository and add an entry for your app, for example: ```yaml hello-world: @@ -23,7 +23,7 @@ Please see the [AiiDAlab documentation](https://aiidalab.readthedocs.io/en/lates ## Information for maintainers -To generate the website, simply execute the following script: +To generate the website, execute the following script: ```console $ ./build.sh @@ -47,10 +47,10 @@ To manually trigger the CI workflow to deploy the registry, go to the [Actions t ## Acknowledgements -This work is supported by the [MARVEL National Centre for Competency in Research]() funded by the [Swiss National Science Foundation](), +This work is supported by the [MARVEL National Centre for Competency in Research](https://nccr-marvel.ch/) funded by the [Swiss National Science Foundation](https://www.snf.ch/en), the MARKETPLACE project funded by [Horizon 2020](https://ec.europa.eu/programmes/horizon2020/) under the H2020-NMBP-25-2017 call (Grant No. 760173), as well as by -the [MaX European Centre of Excellence]() funded by the Horizon 2020 EINFRA-5 program (Grant No. 676598). +the [MaX European Centre of Excellence](https://www.max-centre.eu/) funded by the Horizon 2020 EINFRA-5 program (Grant No. 676598).

MARVEL diff --git a/requirements.txt b/requirements.txt index 48f03a91..c4229483 100644 --- a/requirements.txt +++ b/requirements.txt @@ -1,3 +1,2 @@ -aiidalab==23.3.1 -pre-commit==3.6.0 -packaging<22 \ No newline at end of file +aiidalab[registry]==24.9.0 +pre-commit>=3.6.0 diff --git a/setup.cfg b/setup.cfg deleted file mode 100644 index 744950cd..00000000 --- a/setup.cfg +++ /dev/null @@ -1,6 +0,0 @@ -[flake8] -# Adapted from: https://github.com/CasperWA/voila-optimade-client -ignore = - E501 # Line length handled by black. - W503 # Line break before binary operator, preferred formatting for black. - E203 # Whitespace before ':', preferred formatting for black.