diff --git a/.github/workflows/CI_build.yml b/.github/workflows/CI_build.yml index 1da226e..85f7379 100644 --- a/.github/workflows/CI_build.yml +++ b/.github/workflows/CI_build.yml @@ -38,12 +38,12 @@ jobs: - name: Check whether import statements are used consistently shell: bash -l {0} run: poetry run isort --check-only --diff --conda-env spec2vec-dev . - # - name: SonarCloud Scan - # if: github.repository == 'iomega/spec2vec' - # uses: sonarsource/sonarcloud-github-action@master - # env: - # GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} - # SONAR_TOKEN: ${{ secrets.SONAR_TOKEN }} + - name: SonarQube Scan + if: github.repository == 'iomega/spec2vec' + uses: SonarSource/sonarqube-scan-action@master + env: + GITHUB_TOKEN: ${{ secrets.GITHUB_TOKEN }} + SONAR_TOKEN: ${{ secrets.SONAR_TOKEN }} build_pypi: name: Pypi and documentation build / python-${{ matrix.python-version }} / ${{ matrix.os }} @@ -148,7 +148,7 @@ jobs: [ "$RUNNING_OS" = "Windows" ] && export BUILDDIR=$RUNNER_TEMP\\spec2vec\\_build\\ conda config --set anaconda_upload no conda build --no-include-recipe \ - --channel bioconda --channel conda-forge \ + --channel conda-forge --channel bioconda \ --croot ${BUILDDIR} \ ./conda - name: Upload package artifact from build diff --git a/CHANGELOG.md b/CHANGELOG.md index 4f67d1c..77f5874 100644 --- a/CHANGELOG.md +++ b/CHANGELOG.md @@ -7,6 +7,20 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 ## [Unreleased] +## [0.9.0] - 2025-10-20 +### Changed +- Added loss_mz_from and loss_mz_to to SpectrumDocument [#95](https://github.com/iomega/spec2vec/pull/95) +- Updated required matchms version to >=0.27.0 [#95](https://github.com/iomega/spec2vec/pull/95) +- Updated required Python version to >=3.10 [#95](https://github.com/iomega/spec2vec/pull/95) +- Moved to poetry [#95](https://github.com/iomega/spec2vec/pull/95) +- Updated CI_build workflow to use poetry and actions [#95](https://github.com/iomega/spec2vec/pull/95) +- Added sparse array type handling and tests [#95](https://github.com/iomega/spec2vec/pull/95) + +### Fixed + +- Fixed missing keyword in model dict [#95](https://github.com/iomega/spec2vec/pull/95) +- Fixed documentation [#95](https://github.com/iomega/spec2vec/pull/95) + ## [0.8.1] - 2024-08-06 ### Changed - Set max matchms to 0.26.4 @@ -147,7 +161,9 @@ and this project adheres to [Semantic Versioning](https://semver.org/spec/v2.0.0 - Fossa configuration - Flowchart -[Unreleased]: https://github.com/iomega/spec2vec/compare/0.8.0...HEAD +[Unreleased]: https://github.com/iomega/spec2vec/compare/0.9.0...HEAD +[0.9.0]: https://github.com/iomega/spec2vec/compare/0.8.1...0.9.0 +[0.8.1]: https://github.com/iomega/spec2vec/compare/0.8.0...0.8.1 [0.8.0]: https://github.com/iomega/spec2vec/compare/0.6.0...0.7.0 [0.7.0]: https://github.com/iomega/spec2vec/compare/0.6.0...0.7.0 [0.6.0]: https://github.com/iomega/spec2vec/compare/0.5.0...0.6.0 diff --git a/conda/environment-build.yml b/conda/environment-build.yml index c5baf80..9caabbd 100644 --- a/conda/environment-build.yml +++ b/conda/environment-build.yml @@ -5,4 +5,4 @@ dependencies: - anaconda-client - conda-build - conda-verify - - python >=3.7 + - python >=3.10 diff --git a/conda/environment-dev.yml b/conda/environment-dev.yml index 6dc0a7f..2628215 100644 --- a/conda/environment-dev.yml +++ b/conda/environment-dev.yml @@ -5,7 +5,7 @@ channels: - defaults dependencies: - python - - gensim >=4.3.3 + - gensim >=4.4.0 - matchms >=0.27.0 - numba - numpy diff --git a/conda/meta.yaml b/conda/meta.yaml index 0579f1f..a7d2e82 100644 --- a/conda/meta.yaml +++ b/conda/meta.yaml @@ -1,5 +1,5 @@ {% set name = "spec2vec" %} -{% set version = "0.8.1" %} +{% set version = "0.9.0" %} package: name: {{ name|lower }} @@ -18,14 +18,17 @@ requirements: - python - poetry host: - - python >=3.10 + - python >=3.10, <3.14 - poetry - pip run: - - python >=3.10 - - gensim >=4.3.3 + - python >=3.10, <3.14 + - gensim >=4.4.0 - matchms >=0.27.0 - tqdm + - lxml >=4.9.3, <6.0.0 + - rdkit >=2024.3.5, <2025.0.0 + - numba >=0.60, <0.62 test: imports: diff --git a/pyproject.toml b/pyproject.toml index 2c61e5c..8e4206c 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -14,9 +14,9 @@ keywords = [ ] [tool.poetry.dependencies] -python = ">=3.10,<3.13" -gensim = "^4.3.3" -matchms = "^0.27.0" +python = ">=3.10,<3.14" +gensim = "^4.4.0" +matchms = ">=0.27.0" tqdm = "^4.66.5" [tool.poetry.group.dev.dependencies] diff --git a/spec2vec/__version__.py b/spec2vec/__version__.py index ef72cc0..e4e49b3 100644 --- a/spec2vec/__version__.py +++ b/spec2vec/__version__.py @@ -1 +1 @@ -__version__ = '0.8.1' +__version__ = '0.9.0'