diff --git a/.github/workflows/CI.yaml b/.github/workflows/CI.yaml index 42e1eb8..ce3193f 100644 --- a/.github/workflows/CI.yaml +++ b/.github/workflows/CI.yaml @@ -11,7 +11,7 @@ jobs: runs-on: ubuntu-latest strategy: matrix: - pixi-env: ["py311", "py312", "py313", "py314"] + pixi-env: ["py310", "py311", "py312", "py313", "py314"] steps: - uses: actions/checkout@8e8c483db84b4bee98b60c0593521ed34d9990e8 # v6 diff --git a/.readthedocs.yaml b/.readthedocs.yaml index 58c6054..aa0d42b 100644 --- a/.readthedocs.yaml +++ b/.readthedocs.yaml @@ -9,7 +9,7 @@ version: 2 build: os: ubuntu-20.04 tools: - python: "3.9" + python: "3.10" # Build documentation in the docs/ directory with Sphinx sphinx: diff --git a/.ruff.toml b/.ruff.toml index 87123b4..559a7ce 100644 --- a/.ruff.toml +++ b/.ruff.toml @@ -1,4 +1,4 @@ -target-version = "py311" +target-version = "py310" line-length = 90 [lint] diff --git a/docs/source/conf.py b/docs/source/conf.py index 2079292..82e4804 100644 --- a/docs/source/conf.py +++ b/docs/source/conf.py @@ -23,8 +23,8 @@ author = "Jelena Tosovic, Domagoj Fijan, Marko Jukic, Urban Bren" # The full version, including alpha/beta/rc tags -version = "0.5.0" -release = "0.5.0" +version = "0.5.1" +release = "0.5.1" # -- General configuration --------------------------------------------------- diff --git a/docs/source/installation.rst b/docs/source/installation.rst index e4d9bac..9ace126 100644 --- a/docs/source/installation.rst +++ b/docs/source/installation.rst @@ -36,13 +36,13 @@ PyMOL plugin installation This guide provides detailed installation instructions for Linux, Mac, and Windows users. We recommend using `conda` or `mamba` to create a new -environment with at least Python 3.9. +environment with at least Python 3.10. Note that PyMOL which can be downloaded from the `PyMOL website `_ comes with python 3.7 which is not supported by WaterNetworkAnalysis or ConservedWaterSearch. For this reason users will have to install `mamba/conda` and create a new environment with -python version greater or equal to 3.9 and install PyMOL in that environment. +python version greater or equal to 3.10 and install PyMOL in that environment. The plugin has been tested with PyMOL version > 2.5.0. 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pypi: https://files.pythonhosted.org/packages/d0/30/dc54f88dd4a2b5dc8a0279bdd7270e735851848b762aeb1c1184ed1f6b14/tqdm-4.67.1-py3-none-any.whl name: tqdm version: 4.67.1 @@ -7011,6 +8441,11 @@ packages: - requests ; extra == 'telegram' - ipywidgets>=6 ; extra == 'notebook' requires_python: '>=3.7' +- pypi: https://files.pythonhosted.org/packages/18/67/36e9267722cc04a6b9f15c7f3441c2363321a3ea07da7ae0c0707beb2a9c/typing_extensions-4.15.0-py3-none-any.whl + name: typing-extensions + version: 4.15.0 + sha256: f0fa19c6845758ab08074a0cfa8b7aecb71c999ca73d62883bc25cc018c4e548 + requires_python: '>=3.9' - conda: https://conda.anaconda.org/conda-forge/noarch/tzdata-2025c-hc9c84f9_1.conda sha256: 1d30098909076af33a35017eed6f2953af1c769e273a0626a04722ac4acaba3c md5: ad659d0a2b3e47e38d829aa8cad2d610 diff --git a/pixi.toml b/pixi.toml index 73df3be..3da3a73 100644 --- a/pixi.toml +++ b/pixi.toml @@ -4,21 +4,17 @@ channels = ["conda-forge"] platforms = ["linux-64", "osx-64", "osx-arm64", "win-64"] [dependencies] -python = ">=3.11,<3.15" +python = ">=3.10,<3.15" pip = "*" [pypi-dependencies] -ConservedWaterSearch = ">=0.1.0" -MDAnalysis = ">=2.4.0" -numpy = ">=1.22" -scipy = ">=1.0.0" +ConservedWaterSearch = "*" +MDAnalysis = "*" +numpy = ">=2.0" +scipy = "*" [feature.test.pypi-dependencies] pytest = "*" -ConservedWaterSearch = "==0.5.1" -MDAnalysis = "==2.10.0" -numpy = "==2.4.1" -scipy = "==1.17.0" [feature.lint.pypi-dependencies] ruff = "*" @@ -29,6 +25,9 @@ prek = "*" [feature.build.pypi-dependencies] build = "*" +[feature.py310.dependencies] +python = "3.10.*" + [feature.py311.dependencies] python = "3.11.*" @@ -42,6 +41,7 @@ python = "3.13.*" python = "3.14.*" [environments] +py310 = { features = ["py310", "test"] } py311 = { features = ["py311", "test"] } py312 = { features = ["py312", "test"] } py313 = { features = ["py313", "test"] } diff --git a/pyproject.toml b/pyproject.toml index 748a480..135f8d5 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -30,8 +30,9 @@ classifiers = [ "Programming Language :: Python :: 3.12", "Programming Language :: Python :: 3.13", "Programming Language :: Python :: 3.14", + "Programming Language :: Python :: 3.10", ] -requires-python = ">=3.11" +requires-python = ">=3.10" dynamic = ["dependencies"] [project.urls] diff --git a/requirements/requirements-test.txt b/requirements/requirements-test.txt index 04c6dc6..b669e50 100644 --- a/requirements/requirements-test.txt +++ b/requirements/requirements-test.txt @@ -1,4 +1,4 @@ -ConservedWaterSearch==0.5.0 +ConservedWaterSearch==0.5.1 MDAnalysis==2.10.0 numpy==2.4.1 scipy==1.17.0 diff --git a/requirements/requirements.txt b/requirements/requirements.txt index 9bc338d..8c25718 100644 --- a/requirements/requirements.txt +++ b/requirements/requirements.txt @@ -1,4 +1,4 @@ -ConservedWaterSearch>=0.5.0 +ConservedWaterSearch>=0.5.1 MDAnalysis>=2.4.0 numpy>=2.0.0 scipy>=1.0.0