diff --git a/.cookietemple.yml b/.cookietemple.yml index ed53147..ee4bb20 100644 --- a/.cookietemple.yml +++ b/.cookietemple.yml @@ -15,5 +15,5 @@ full_name: Victor Giurcoiu email: victor.giurcoiu@tum.de project_name: spectrum_fundamentals project_short_description: Fundamentals public repo -version: 0.5.3 +version: 0.5.4 license: MIT diff --git a/.github/release-drafter.yml b/.github/release-drafter.yml index 92c4010..6155efa 100644 --- a/.github/release-drafter.yml +++ b/.github/release-drafter.yml @@ -1,5 +1,5 @@ -name-template: "0.5.3 🌈" # <> -tag-template: 0.5.3 # <> +name-template: "0.5.4 🌈" # <> +tag-template: 0.5.4 # <> exclude-labels: - "skip-changelog" diff --git a/.github/workflows/build_package.yml b/.github/workflows/build_package.yml index f9d2ff1..f532e3a 100644 --- a/.github/workflows/build_package.yml +++ b/.github/workflows/build_package.yml @@ -12,7 +12,7 @@ jobs: python: [3.8, 3.9] steps: - - uses: actions/checkout@v3 + - uses: actions/checkout@v4 name: Check out source-code repository - name: Setup Python diff --git a/.github/workflows/labeler.yml b/.github/workflows/labeler.yml index 8ea1f8f..825aa6f 100644 --- a/.github/workflows/labeler.yml +++ b/.github/workflows/labeler.yml @@ -11,7 +11,7 @@ jobs: runs-on: ubuntu-latest steps: - name: Check out the repository - uses: actions/checkout@v2.3.3 + uses: actions/checkout@v4 - name: Run Labeler uses: crazy-max/ghaction-github-labeler@v5.0.0 diff --git a/.github/workflows/publish_docs.yml b/.github/workflows/publish_docs.yml index 6f00229..298307f 100644 --- a/.github/workflows/publish_docs.yml +++ b/.github/workflows/publish_docs.yml @@ -7,7 +7,7 @@ jobs: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v2 + - uses: actions/checkout@v4 name: Check out source-code repository - name: Setup Python @@ -30,7 +30,7 @@ jobs: - name: Deploy if: ${{ github.ref == 'refs/heads/master' || github.ref == 'refs/heads/main'}} - uses: peaceiris/actions-gh-pages@v3 + uses: peaceiris/actions-gh-pages@v4 with: github_token: ${{ secrets.GITHUB_TOKEN }} publish_dir: ./docs/_build/html diff --git a/.github/workflows/publish_package.yml b/.github/workflows/publish_package.yml index 19c7e0b..86a36c4 100644 --- a/.github/workflows/publish_package.yml +++ b/.github/workflows/publish_package.yml @@ -10,7 +10,7 @@ jobs: runs-on: ubuntu-latest steps: - name: Check out the repository - uses: actions/checkout@v2.3.4 + uses: actions/checkout@v4 with: fetch-depth: 2 diff --git a/.github/workflows/run_cookietemple_lint.yml b/.github/workflows/run_cookietemple_lint.yml index c3d0fbc..0631a28 100644 --- a/.github/workflows/run_cookietemple_lint.yml +++ b/.github/workflows/run_cookietemple_lint.yml @@ -7,7 +7,7 @@ jobs: runs-on: ubuntu-latest steps: - - uses: actions/checkout@v2 + - uses: actions/checkout@v4 name: Check out source-code repository - name: Setup Python diff --git a/.github/workflows/run_tests.yml b/.github/workflows/run_tests.yml index 63040a2..020c5f0 100644 --- a/.github/workflows/run_tests.yml +++ b/.github/workflows/run_tests.yml @@ -69,7 +69,7 @@ jobs: steps: - name: Check out the repository - uses: actions/checkout@v2.3.4 + uses: actions/checkout@v4 - name: Set up Python ${{ matrix.python-version }} uses: actions/setup-python@v5.1.0 @@ -116,15 +116,15 @@ jobs: run: nox --force-color --python=${{ matrix.python-version }} - name: Upload coverage data - if: always() && matrix.session == 'tests' - uses: actions/upload-artifact@v3 + if: always() && matrix.session == 'tests' && matrix.os == 'ubuntu-latest' + uses: actions/upload-artifact@v4 with: name: coverage-data path: ".coverage.*" - name: Upload documentation if: matrix.session == 'docs-build' - uses: actions/upload-artifact@v3 + uses: actions/upload-artifact@v4 with: name: docs path: docs/_build @@ -134,7 +134,7 @@ jobs: needs: tests steps: - name: Check out the repository - uses: actions/checkout@v3 + uses: actions/checkout@v4 - name: Set up Python 3.8 uses: actions/setup-python@v5.1.0 @@ -154,7 +154,7 @@ jobs: nox --version - name: Download coverage data - uses: actions/download-artifact@v3 + uses: actions/download-artifact@v4 with: name: coverage-data diff --git a/.github/workflows/sync_project.yml b/.github/workflows/sync_project.yml index e0f4e02..0ff8eaf 100644 --- a/.github/workflows/sync_project.yml +++ b/.github/workflows/sync_project.yml @@ -17,7 +17,7 @@ jobs: - name: Install cookietemple run: pip install cookietemple - - uses: actions/checkout@v2 + - uses: actions/checkout@v4 with: fetch-depth: 0 token: "${{ secrets.CT_SYNC_TOKEN }}" diff --git a/cookietemple.cfg b/cookietemple.cfg index 0e603e0..cba6928 100644 --- a/cookietemple.cfg +++ b/cookietemple.cfg @@ -1,5 +1,5 @@ [bumpversion] -current_version = 0.5.3 +current_version = 0.5.4 [bumpversion_files_whitelisted] init_file = spectrum_fundamentals/__init__.py diff --git a/docs/conf.py b/docs/conf.py index 40dc1a8..6d899ce 100644 --- a/docs/conf.py +++ b/docs/conf.py @@ -54,9 +54,9 @@ # the built documents. # # The short X.Y version. -version = "0.5.3" +version = "0.5.4" # The full version, including alpha/beta/rc tags. -release = "0.5.3" +release = "0.5.4" # The language for content autogenerated by Sphinx. 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"jaraco.itertools", "more-itertools", "p [metadata] lock-version = "2.0" python-versions = ">=3.8.0,<3.11.0" -content-hash = "d200011cd83d83ad3e0a834c204c8b1e20f45505d64ad420b5478b81482fcbf7" +content-hash = "5e4a9a13a03f8477623414c069175c240e08d1d7d7028c6acf9c536a1e6843bf" diff --git a/pyproject.toml b/pyproject.toml index dc91110..d31ee05 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,6 +1,6 @@ [tool.poetry] name = "spectrum_fundamentals" -version = "0.5.3" # <> +version = "0.5.4" # <> description = "Fundamental functions, annotation pipeline and constants for oktoberfest" authors = ["Wilhelmlab at Technical University of Munich"] license = "MIT" @@ -25,7 +25,7 @@ click = ">=8.0.0" rich = ">=10.3.0" PyYAML = ">=5.4.1" numpy = ">=1.24.1,<1.25" -pandas = "^1.3.0" +pandas = ">=1.3,<3.0" scikit-learn = "^1.0" joblib = "^1.0.1" moepy = "^1.1.4" diff --git a/spectrum_fundamentals/__init__.py b/spectrum_fundamentals/__init__.py index d396ea1..dd63b99 100644 --- a/spectrum_fundamentals/__init__.py +++ b/spectrum_fundamentals/__init__.py @@ -2,7 +2,7 @@ __author__ = "Mario Picciani" __email__ = "mario.picciani@tum.de" -__version__ = "0.5.3" +__version__ = "0.5.4" import logging import logging.handlers diff --git a/spectrum_fundamentals/__main__.py b/spectrum_fundamentals/__main__.py index 57966c0..0924b65 100644 --- a/spectrum_fundamentals/__main__.py +++ b/spectrum_fundamentals/__main__.py @@ -5,7 +5,7 @@ @click.command() -@click.version_option(version="0.5.3", message=click.style("spectrum_fundamentals Version: 0.5.3")) +@click.version_option(version="0.5.4", message=click.style("spectrum_fundamentals Version: 0.5.4")) def main() -> None: """spectrum_fundamentals.""" diff --git a/spectrum_fundamentals/constants.py b/spectrum_fundamentals/constants.py index 245168b..5c5678b 100644 --- a/spectrum_fundamentals/constants.py +++ b/spectrum_fundamentals/constants.py @@ -244,6 +244,7 @@ -18.0105: "[UNIMOD:23]", 57.0215: "[UNIMOD:4]", 15.9949: "[UNIMOD:35]", + 15.994: "[UNIMOD:35]", 42.0105: "[UNIMOD:1]", } # these are only used for prosit_grpc, oktoberfest uses the masses from MOD_MASSES