From cd17cae78b5452d8b3586c3e1bb4eef374b577ba Mon Sep 17 00:00:00 2001 From: Vecko <36369090+VeckoTheGecko@users.noreply.github.com> Date: Fri, 7 Aug 2026 10:43:12 +0800 Subject: [PATCH 01/13] pixi --- .gitattributes | 2 + .github/workflows/{unit_tests.yml => ci.yml} | 15 +- .gitignore | 6 + .readthedocs.yaml | 20 +- pixi.lock | 2780 ++++++++++++++++++ pyproject.toml | 42 +- 6 files changed, 2844 insertions(+), 21 deletions(-) rename .github/workflows/{unit_tests.yml => ci.yml} (62%) create mode 100644 pixi.lock diff --git a/.gitattributes b/.gitattributes index 00a7b00..e16b0d3 100644 --- a/.gitattributes +++ b/.gitattributes @@ -1 +1,3 @@ .git_archival.txt export-subst +# SCM syntax highlighting & preventing 3-way merges +pixi.lock merge=binary linguist-language=YAML linguist-generated=true -diff diff --git a/.github/workflows/unit_tests.yml b/.github/workflows/ci.yml similarity index 62% rename from .github/workflows/unit_tests.yml rename to .github/workflows/ci.yml index 3339e08..3cfbc71 100644 --- a/.github/workflows/unit_tests.yml +++ b/.github/workflows/ci.yml @@ -5,10 +5,6 @@ on: schedule: - cron: "0 7 * * 1" # Run every Monday at 7:00 UTC -defaults: - run: - shell: bash -el {0} - jobs: unit-test: name: Unittesting on ubuntu with python latest @@ -18,15 +14,10 @@ jobs: steps: - name: Checkout uses: actions/checkout@v3 - - name: Setup Conda and parcels - uses: ./.github/actions/install-plasticparcels - with: - environment-file: environment.yml - environment-name: py3_parcels + - name: Setup pixi + uses: prefix-dev/setup-pixi@v0.8.5 - name: Unit test - run: | - coverage run -m pytest -v -s tests - coverage xml + run: pixi run tests with-coverage - name: Upload coverage reports to Codecov uses: codecov/codecov-action@v4.0.1 with: diff --git a/.gitignore b/.gitignore index fbddf57..1aa28fe 100644 --- a/.gitignore +++ b/.gitignore @@ -9,3 +9,9 @@ docs/_build/* .vscode _version_setup.py +# pixi environments +.pixi/* +!.pixi/config.toml + +# coverage +coverage.xml \ No newline at end of file diff --git a/.readthedocs.yaml b/.readthedocs.yaml index ac52fdc..fd072af 100644 --- a/.readthedocs.yaml +++ b/.readthedocs.yaml @@ -1,14 +1,18 @@ version: 2 build: - os: ubuntu-22.04 + os: ubuntu-lts-latest tools: - python: mambaforge-22.9 + # just so RTD stops complaining + python: "latest" jobs: - pre_build: - - pip install . # Need access to version information - + create_environment: + - asdf plugin add pixi + - asdf install pixi latest + - asdf global pixi latest + install: + - pixi install -e docs + build: + html: + - pixi run -e docs sphinx-build -T -b html docs $READTHEDOCS_OUTPUT/html sphinx: configuration: docs/conf.py - -conda: - environment: docs/environment_docs.yml diff --git a/pixi.lock b/pixi.lock new file mode 100644 index 0000000..fb98aa7 --- /dev/null +++ b/pixi.lock @@ -0,0 +1,2780 @@ +version: 7 +platforms: +- name: osx-arm64 + virtual-packages: + - __unix=0=0 + - __osx=13.0 + - __archspec=0=m1 +environments: + default: + channels: + - url: https://conda.anaconda.org/conda-forge/ + indexes: + - https://pypi.org/simple + packages: + osx-arm64: + - conda: https://conda.anaconda.org/conda-forge/noarch/_python_abi3_support-1.0-hd8ed1ab_3.conda + - 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pytest-cov ; extra == 'test-full' + - pytest-mock ; extra == 'test-full' + - pytest-recording ; extra == 'test-full' + - pytest-rerunfailures ; extra == 'test-full' + - python-snappy ; extra == 'test-full' + - requests ; extra == 'test-full' + - s3fs>=2026.6.0 ; extra == 'test-full' + - smbprotocol ; extra == 'test-full' + - tqdm ; extra == 'test-full' + - urllib3 ; extra == 'test-full' + - zarr<3.2.0 ; extra == 'test-full' + - zstandard ; python_full_version < '3.14' and extra == 'test-full' + - tqdm ; extra == 'tqdm' + requires_python: '>=3.10' diff --git a/pyproject.toml b/pyproject.toml index 4b00382..a27d0ee 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -28,9 +28,15 @@ dependencies = [ "parcels >= 3.0.2, < 4", "shapely", "geopandas", - "pytest", ] +[dependency-groups] +dev = [ + "pytest>=8.3.5", + "pytest-cov", +] + + [project.urls] homepage = "https://parcels-code.org/" repository = "https://github.com/Parcels-code/plasticparcels/" @@ -91,3 +97,37 @@ ignore = [ [tool.ruff.lint.pydocstyle] convention = "numpy" + +[tool.pixi.workspace] +channels = ["conda-forge"] +platforms = ["osx-arm64"] + +[tool.pixi.pypi-dependencies] +plasticparcels = { path = ".", editable = true } + +[tool.pixi.feature.dev.dependencies] +proj = "*" + +[tool.pixi.feature.dev.tasks.tests] +cmd = "pytest {{ '--cov=plasticparcels --cov-report=xml' if coverage=='with-coverage' else '' }}" +description = "Run the tests" +args = [{ arg = "coverage", default = 'no-coverage', choices = ["with-coverage", "no-coverage"] }] + + +[tool.pixi.feature.docs.dependencies] +ipython = "*" +numpydoc = "*" +nbsphinx = "*" +sphinx = "*" +pandoc = "*" +pydata-sphinx-theme = "*" +sphinx-autobuild = "*" +myst-parser = "*" + +[tool.pixi.feature.docs.tasks] +docs-build = {cmd = "make html", cwd = "docs", description = "Biuld the docs."} + + +[tool.pixi.environments] +default = ["dev", "docs"] + From 45d29fb57145053d851874890faa808efdd96a1d Mon Sep 17 00:00:00 2001 From: Vecko <36369090+VeckoTheGecko@users.noreply.github.com> Date: Fri, 7 Aug 2026 11:43:05 +0800 Subject: [PATCH 02/13] Remove cron and add dependabot --- .github/workflows/ci.yml | 2 -- 1 file changed, 2 deletions(-) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 3cfbc71..0e14df5 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -2,8 +2,6 @@ name: unit-tests on: pull_request: push: - schedule: - - cron: "0 7 * * 1" # Run every Monday at 7:00 UTC jobs: unit-test: From 9f453583a9ee2b9c7d6d5b98e8811d5167a3e881 Mon Sep 17 00:00:00 2001 From: Vecko <36369090+VeckoTheGecko@users.noreply.github.com> Date: Fri, 7 Aug 2026 12:12:11 +0800 Subject: [PATCH 03/13] Add contributing instructions --- CONTRIBUTING.md | 38 ++++++++++++++++++++++++++++++++++++++ 1 file changed, 38 insertions(+) create mode 100644 CONTRIBUTING.md diff --git a/CONTRIBUTING.md b/CONTRIBUTING.md new file mode 100644 index 0000000..d52b2ce --- /dev/null +++ b/CONTRIBUTING.md @@ -0,0 +1,38 @@ +# Contributing + +Contributions are welcome, though please for opinionated changes discuss +them first in an issue before making a pull request. + +## Developer instructions + +We use Pixi for our development workflow (a modern alternative to Conda). + +- [install Pixi](https://pixi.prefix.dev/latest/installation/) +- fork and clone the repository, and `cd` into the repository +- run `pixi task list` (which will show you the available commands for the repository - such as building the documentation, or running tests) +- run the command you would like using `pixi run ...` (e.g, `pixi run tests`) + +You can also enter the environment for the repository by doing `pixi shell` (this is equivalent to `conda activate ...`). + +The installation of the virtual environment will be done automatically by Pixi when running `pixi run` or `pixi shell` - this environment is visible in the `./pixi` folder under the repo root. + +The `.pixi` folder and the `pixi.lock` file should not be editted by hand. The `pixi.lock` file should be committed. + + +## Maintainer instructions + +### About the `pixi.lock` + +This repo has a committed `pixi.lock` (meaning that the tree of dependencies used in development is static). +This results in perfectly reproducibility between dev machines and CI. + +This, however, means that releases of dependencies (e.g., deprecations in Parcels or Xarray) may unknowingly break Plasticparcels. +To mitigate this - there is a Renovate Bot (i.e., an alternative to Dependabot) that will upgrade the Pixi lock on a regular basis and automerge if CI passes. +If CI fails, there is a change upstream that Plasticparcels needs a code adjustment to deal with. + +### Release checklist + +- Make sure CI is passing on the latest version of `main` +- Go to GitHub, draft new release. Enter name of version and "create new tag" if it doesn't already exist. Click "Generate Release Notes". Currate release notes as needed. Look at a previous version release to match the format (title, header, section organisation etc.) +- Go to [conda-forge/plasticparcels-feedstock](https://github.com/conda-forge/plasticparcels-feedstock), create a new issue (select the "Bot Commands" issue from the menu) with title `@conda-forge-admin, please update version`. This will prompt a build, otherwise there can be a delay in the build. + - Approve PR and merge on green \ No newline at end of file From 367dab468b55d7e1546d518b01eed6f34803062b Mon Sep 17 00:00:00 2001 From: Vecko <36369090+VeckoTheGecko@users.noreply.github.com> Date: Fri, 7 Aug 2026 12:12:28 +0800 Subject: [PATCH 04/13] Add Renovate config --- .github/renovate.json | 32 ++++++++++++++++++++++++++++++++ 1 file changed, 32 insertions(+) create mode 100644 .github/renovate.json diff --git a/.github/renovate.json b/.github/renovate.json new file mode 100644 index 0000000..ad7ef10 --- /dev/null +++ b/.github/renovate.json @@ -0,0 +1,32 @@ +{ + "$schema": "https://docs.renovatebot.com/renovate-schema.json", + "extends": ["config:recommended"], + "dependencyDashboard": true, + "schedule": ["on monday"], + "managers": [ + { + "managerType": "pixi", + "fileMatch": ["(^|/)pyproject\\.toml$"], + "lockFileMaintenance": true + } + ], + "lockFileMaintenance": { + "enabled": true, + "schedule": ["on the first day of the month"], + "automerge": true + }, + "packageRules": [ + { + "matchManagers": ["pixi"], + "matchUpdateTypes": ["lockFileMaintenance"], + "commitMessagePrefix": "chore(pixi):", + "labels": ["dependencies", "pixi"] + }, + { + "matchManagers": ["github-actions"], + "commitMessagePrefix": "chore(ci):", + "labels": ["dependencies", "github-actions"], + "pinDigests": false + } + ] +} From dfde430a1204083e9acbc8b32a5af23dd80f4433 Mon Sep 17 00:00:00 2001 From: Vecko <36369090+VeckoTheGecko@users.noreply.github.com> Date: Fri, 7 Aug 2026 12:20:42 +0800 Subject: [PATCH 05/13] Move dependencies --- pixi.lock | 2700 ++++++++++++++++++++---------------------------- pyproject.toml | 20 +- 2 files changed, 1152 insertions(+), 1568 deletions(-) diff --git a/pixi.lock b/pixi.lock index fb98aa7..357bb62 100644 --- a/pixi.lock +++ b/pixi.lock @@ -13,99 +13,9 @@ environments: - 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- tomli ; python_full_version <= '3.11' and extra == 'toml' + - anyio>=3.6.2,<5 + - typing-extensions>=4.10.0 ; python_full_version < '3.13' + - httpx2>=2.0.0 ; extra == 'full' + - httpx>=0.27.0,<0.29.0 ; extra == 'full' + - itsdangerous ; extra == 'full' + - jinja2 ; extra == 'full' + - python-multipart>=0.0.18 ; extra == 'full' + - pyyaml ; extra == 'full' requires_python: '>=3.10' - pypi: https://files.pythonhosted.org/packages/ef/af/4fbc8cab944db5d21b7e2a5b8e9211a03a79852b1157e2c102fcc61ac440/pandocfilters-1.5.1-py2.py3-none-any.whl name: pandocfilters @@ -4027,11 +4063,11 @@ packages: - pygments ; extra == 'tests' - littleutils ; extra == 'tests' - cython ; extra == 'tests' -- pypi: https://files.pythonhosted.org/packages/f2/d5/007086fd8df5489338e204f65adce33fd4f21a4999dbb2b9cff2f897b5f4/tornado-6.5.8-cp39-abi3-macosx_10_9_universal2.whl - name: tornado - version: 6.5.8 - sha256: cc6aa787d7cfab7c3d35189dc7a56fbd2399a569624c730c6b55b3d6531d0403 - requires_python: '>=3.9' +- pypi: https://files.pythonhosted.org/packages/f3/94/3d3e1c0016f2938ca026172df97f4a84f6d546f422dc4b6cf07ebdbd1a17/websockets-17.0-cp314-cp314-win_amd64.whl + name: websockets + version: '17.0' + sha256: bd902b19f9ff1e88dcf9939500dba8da791b8102da93deceafb696659c7c1f94 + requires_python: '>=3.11' - pypi: https://files.pythonhosted.org/packages/f4/24/2a3e3df732393fed8b3ebf2ec078f05546de641fe1b667ee316ec1dcf3b7/webencodings-0.5.1-py2.py3-none-any.whl name: webencodings version: 0.5.1 @@ -4077,11 +4113,6 @@ packages: - envwrap ; extra == 'telegram' - ipywidgets>=6 ; extra == 'notebook' requires_python: '>=3.8' -- pypi: https://files.pythonhosted.org/packages/fa/95/91cdd8c192287d7ea741f37cf7d64fdc1a14410f06f73805e428a1a590af/websockets-17.0.1-cp314-cp314-win_amd64.whl - name: websockets - version: 17.0.1 - sha256: 81ce19c6046ace11da7001781be7317bb1dc389f399af4b2ed962190f76f9add - requires_python: '>=3.11' - pypi: https://files.pythonhosted.org/packages/fa/de/ceae2adf7034e07e9910299fe412e1819c4f0dd520700a888bcb03625448/pandas-3.0.5-cp314-cp314-manylinux_2_24_x86_64.manylinux_2_28_x86_64.whl name: pandas version: 3.0.5 @@ -4299,8 +4330,3 @@ packages: - zstandard ; python_full_version < '3.14' and extra == 'test-full' - tqdm ; extra == 'tqdm' requires_python: '>=3.10' -- pypi: https://files.pythonhosted.org/packages/fe/f2/ff27eaefa15851a5cf7f004ab827a022bf2d6632cb520f89cb100db7e84b/websockets-17.0.1-cp314-cp314-manylinux1_x86_64.manylinux_2_28_x86_64.manylinux_2_5_x86_64.whl - name: websockets - version: 17.0.1 - sha256: 72d7f2a5aeb4e82daa4ee18f125b4277f427033359be5c745ad709608446cc2c - requires_python: '>=3.11' diff --git a/pyproject.toml b/pyproject.toml index a4d5b73..53081e3 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -111,6 +111,7 @@ convention = "numpy" [tool.pixi.workspace] channels = ["conda-forge"] platforms = ["osx-arm64", "win-64", "linux-64"] +exclude-newer = "7d" [tool.pixi.pypi-dependencies] plasticparcels = { path = ".", editable = true } From 149d2eb54a749c139235862776e8586af51de829 Mon Sep 17 00:00:00 2001 From: Vecko <36369090+VeckoTheGecko@users.noreply.github.com> Date: Fri, 7 Aug 2026 13:04:35 +0800 Subject: [PATCH 08/13] Update RTD config --- .readthedocs.yaml | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/.readthedocs.yaml b/.readthedocs.yaml index fd072af..9b7e1f2 100644 --- a/.readthedocs.yaml +++ b/.readthedocs.yaml @@ -10,9 +10,9 @@ build: - asdf install pixi latest - asdf global pixi latest install: - - pixi install -e docs + - pixi install build: html: - - pixi run -e docs sphinx-build -T -b html docs $READTHEDOCS_OUTPUT/html + - pixi run sphinx-build -T -b html docs $READTHEDOCS_OUTPUT/html sphinx: configuration: docs/conf.py From aeec3fc6e862750f64d1c4d6139761a7645a9a36 Mon Sep 17 00:00:00 2001 From: Vecko <36369090+VeckoTheGecko@users.noreply.github.com> Date: Fri, 7 Aug 2026 13:06:47 +0800 Subject: [PATCH 09/13] Udpate CI trigger --- .github/workflows/ci.yml | 2 ++ 1 file changed, 2 insertions(+) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index 0e14df5..e392510 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -2,6 +2,8 @@ name: unit-tests on: pull_request: push: + branches: + - "main" jobs: unit-test: From c4775fd0d44e75ee21d5447e29e817cd66715cdd Mon Sep 17 00:00:00 2001 From: Vecko <36369090+VeckoTheGecko@users.noreply.github.com> Date: Fri, 7 Aug 2026 13:09:45 +0800 Subject: [PATCH 10/13] Add concurrency group --- .github/workflows/ci.yml | 4 ++++ 1 file changed, 4 insertions(+) diff --git a/.github/workflows/ci.yml b/.github/workflows/ci.yml index e392510..34350a0 100644 --- a/.github/workflows/ci.yml +++ b/.github/workflows/ci.yml @@ -5,6 +5,10 @@ on: branches: - "main" +concurrency: + group: branch-${{ github.head_ref }} + cancel-in-progress: true + jobs: unit-test: name: Unittesting on ubuntu with python latest From c6c72569ec38b3e1be43e0c5c5a897d3eabbe25d Mon Sep 17 00:00:00 2001 From: Vecko <36369090+VeckoTheGecko@users.noreply.github.com> Date: Fri, 7 Aug 2026 13:19:12 +0800 Subject: [PATCH 11/13] Update RTD config --- .readthedocs.yaml | 2 +- tests/test_kernels.py | 1 - 2 files changed, 1 insertion(+), 2 deletions(-) diff --git a/.readthedocs.yaml b/.readthedocs.yaml index 9b7e1f2..c62305a 100644 --- a/.readthedocs.yaml +++ b/.readthedocs.yaml @@ -10,7 +10,7 @@ build: - asdf install pixi latest - asdf global pixi latest install: - - pixi install + - pixi install --frozen build: html: - pixi run sphinx-build -T -b html docs $READTHEDOCS_OUTPUT/html diff --git a/tests/test_kernels.py b/tests/test_kernels.py index 89b644f..ad4fbd7 100644 --- a/tests/test_kernels.py +++ b/tests/test_kernels.py @@ -237,7 +237,6 @@ def test_mixing(): pset = make_standard_particleset(fieldset, settings) pset_mixing = make_standard_particleset(fieldset, settings) - pset.execute(kernels, runtime=settings['simulation']['runtime'], dt=settings['simulation']['dt']) pset_mixing.execute(kernels_mixing, runtime=settings['simulation']['runtime'], dt=settings['simulation']['dt']) From 4e2caa4eee0c4ff9c9ebe3f468ac84a6b209d361 Mon Sep 17 00:00:00 2001 From: Vecko <36369090+VeckoTheGecko@users.noreply.github.com> Date: Fri, 7 Aug 2026 13:59:29 +0800 Subject: [PATCH 12/13] Fix license --- pyproject.toml | 3 +-- 1 file changed, 1 insertion(+), 2 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index 53081e3..21aef12 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -9,10 +9,9 @@ readme = "README.md" dynamic = ["version"] authors = [{ name = "PlasticParcels developers" }] requires-python = ">=3.8" -license = { file = "LICENSE" } +license = "MIT" classifiers = [ "Development Status :: 3 - Alpha", - "License :: OSI Approved :: MIT License", "Programming Language :: Python :: 3", "Programming Language :: Python :: 3.8", "Programming Language :: Python :: 3.9", From 6138fabb1b0229278ef315a91256531f14b0b8d1 Mon Sep 17 00:00:00 2001 From: Vecko <36369090+VeckoTheGecko@users.noreply.github.com> Date: Fri, 7 Aug 2026 14:10:26 +0800 Subject: [PATCH 13/13] Fix docs build --- pixi.lock | 5045 ++++++++++++++++++++++++------------------------ pyproject.toml | 6 + 2 files changed, 2534 insertions(+), 2517 deletions(-) diff --git a/pixi.lock b/pixi.lock index dd93320..c67baf9 100644 --- a/pixi.lock +++ b/pixi.lock @@ -23,490 +23,502 @@ environments: - 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This breaks source +# builds on linux with Python 3.14+. Test removing this pin upgrading to v4 of Parcels (as that uses Zarr v3, and a different numcodecs) +python = ">=3.12,<3.14" + [tool.pixi.feature.dev.dependencies] proj = "*"