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14 changes: 7 additions & 7 deletions .github/workflows/CI_build.yml
Original file line number Diff line number Diff line change
Expand Up @@ -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 }} / ${{ matrix.os }}
Expand Down Expand Up @@ -148,7 +148,7 @@ jobs:
[ "$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
Expand Down
18 changes: 17 additions & 1 deletion CHANGELOG.md
Original file line number Diff line number Diff line change
Expand Up @@ -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
Expand Down Expand Up @@ -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
Expand Down
2 changes: 1 addition & 1 deletion conda/environment-build.yml
Original file line number Diff line number Diff line change
Expand Up @@ -5,4 +5,4 @@ dependencies:
- anaconda-client
- conda-build
- conda-verify
- python >=3.7
- python >=3.10
2 changes: 1 addition & 1 deletion conda/environment-dev.yml
Original file line number Diff line number Diff line change
Expand Up @@ -5,7 +5,7 @@ channels:
- defaults
dependencies:
- python
- gensim >=4.3.3
- gensim >=4.4.0
- matchms >=0.27.0
- numba
- numpy
Expand Down
11 changes: 7 additions & 4 deletions conda/meta.yaml
Original file line number Diff line number Diff line change
@@ -1,5 +1,5 @@
{% set name = "spec2vec" %}
{% set version = "0.8.1" %}
{% set version = "0.9.0" %}

package:
name: {{ name|lower }}
Expand All @@ -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:
Expand Down
6 changes: 3 additions & 3 deletions pyproject.toml
Original file line number Diff line number Diff line change
Expand Up @@ -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]
Expand Down
2 changes: 1 addition & 1 deletion spec2vec/__version__.py
Original file line number Diff line number Diff line change
@@ -1 +1 @@
__version__ = '0.8.1'
__version__ = '0.9.0'