diff --git a/.github/workflows/anaconda.yml b/.github/workflows/anaconda.yml deleted file mode 100644 index 24a51a5..0000000 --- a/.github/workflows/anaconda.yml +++ /dev/null @@ -1,56 +0,0 @@ -name: Anaconda Build - -on: - push: - pull_request: - workflow_dispatch: - -jobs: - anaconda_build: - name: Anaconda build / python-3.9 / ubuntu-latest - runs-on: ubuntu-latest - strategy: - fail-fast: false - steps: - - uses: actions/checkout@v2 - with: - fetch-depth: "0" - - name: Create MSMetaEnhancer-build environment - uses: conda-incubator/setup-miniconda@v2 - with: - activate-environment: MSMetaEnhancer-build - auto-update-conda: true - environment-file: conda/environment-build.yml - python-version: 3.9 - - name: Show conda config - shell: bash -l {0} - run: | - conda info - conda list - conda config --show-sources - conda config --show - conda env list - - name: Python info - shell: bash -l {0} - run: | - which python - python --version - - name: Show environment variables - shell: bash -l {0} - run: | - env | sort - - name: Build the conda package - shell: bash -l {0} - run: | - export BUILDDIR=$RUNNER_TEMP/MSMetaEnhancer/_build - [ "$RUNNING_OS" = "Windows" ] && export BUILDDIR=$RUNNER_TEMP\\MSMetaEnhancer\\_build\\ - conda config --set anaconda_upload no - conda build --numpy 1.18.1 --no-include-recipe \ - --channel bioconda --channel conda-forge \ - --croot ${BUILDDIR} \ - ./conda - - name: Upload package artifact from build - uses: actions/upload-artifact@v2 - with: - name: conda-package-artifact - path: ${{ runner.temp }}/MSMetaEnhancer/_build diff --git a/.github/workflows/python-package.yml b/.github/workflows/python-package.yml deleted file mode 100644 index 3101e6a..0000000 --- a/.github/workflows/python-package.yml +++ /dev/null @@ -1,41 +0,0 @@ -# This workflow will install Python dependencies, run tests and lint with a variety of Python versions -# For more information see: https://help.github.com/actions/language-and-framework-guides/using-python-with-github-actions - -name: Python package - -on: - push: - branches: [ main ] - pull_request: - branches: [ main ] - -jobs: - build: - runs-on: ${{ matrix.os }} - strategy: - fail-fast: false - matrix: - os: ['ubuntu-latest', 'macos-latest', 'windows-latest'] - python-version: ['3.9', '3.10'] - - steps: - - uses: actions/checkout@v2 - - name: Set up Python ${{ matrix.python-version }} - uses: actions/setup-python@v2 - with: - python-version: ${{ matrix.python-version }} - - name: Install dependencies - run: | - python -m pip install --upgrade pip - python -m pip install flake8 pytest - pip install -r requirements.txt - pip install -r requirements-dev.txt - - name: Lint with flake8 - run: | - # stop the build if there are Python syntax errors or undefined names - flake8 . --count --select=E9,F63,F7,F82 --show-source --statistics - # exit-zero treats all errors as warnings. The GitHub editor is 127 chars wide - flake8 . --count --exit-zero --max-complexity=10 --max-line-length=127 --statistics - - name: Test with pytest - run: | - pytest --cov=./ tests/ diff --git a/.github/workflows/python-package-conda.yml b/.github/workflows/test-package.yml similarity index 97% rename from .github/workflows/python-package-conda.yml rename to .github/workflows/test-package.yml index f8fb80f..187ad68 100644 --- a/.github/workflows/python-package-conda.yml +++ b/.github/workflows/test-package.yml @@ -1,4 +1,4 @@ -name: Python Package using Conda +name: Test Python Package on: push: diff --git a/conda/environment-build.yml b/conda/environment-build.yml deleted file mode 100644 index 8209d7c..0000000 --- a/conda/environment-build.yml +++ /dev/null @@ -1,7 +0,0 @@ -name: MSMetaEnhancer-build -channels: - - defaults -dependencies: - - conda-build - - conda-verify - - python >=3.9 diff --git a/conda/meta.yaml b/conda/meta.yaml deleted file mode 100644 index fa9cbab..0000000 --- a/conda/meta.yaml +++ /dev/null @@ -1,48 +0,0 @@ -{% set name = "MSMetaEnhancer" %} -{% set version = "0.2.5" %} - -package: - name: {{ name|lower }} - version: {{ version }} - -source: - path: .. - -build: - number: 0 - noarch: python - script: "{{ PYTHON }} -m pip install . " - -requirements: - host: - - python >=3.9 - - pip - run: - - python >=3.9 - - matchms >=0.14.0 - - pandas - - scipy - - requests - - aiohttp - - asyncstdlib - - frozendict - - tabulate - - rdkit - - multidict - - aiocircuitbreaker - -test: - imports: - - MSMetaEnhancer - -about: - home: https://github.com/RECETOX/MSMetaEnhancer - license: MIT - license_file: LICENSE - summary: "MSMetaEnhancer is a python tool that adds more annotations (e.g. SMILES, InChI, CAS number) to MSP files." - dev_url: "https://github.com/RECETOX/MSMetaEnhancer" - -extra: - recipe-maintainers: - - xtrojak - - hechth