Merge pending dependabot GitHub Actions bumps into dev

.github/workflows/docker-image.yml

@@ -6,18 +6,36 @@ on:
   release:
     type: [published]
 
+permissions:
+  contents: read
+  id-token: write
+
 env:
-  TEST_TAG: dessimozlab/fastoma:test
+  REGISTRY_IMAGE: dessimozlab/fastoma
 
 jobs:
 
   build:
 
-    runs-on: ubuntu-latest
+    strategy:
+      fail-fast: false
+      matrix:
+        include:
+        - platform: linux/amd64
+          runner: ubuntu-latest
+        - platform: linux/arm64
+          runner: ubuntu-24.04-arm
+
+    runs-on: ${{ matrix.runner }}
 
     steps:
+      - name: Prepare
+        run: |
+          platform=${{ matrix.platform }}
+          echo "PLATFORM_PAIR=${platform//\//-}" >> $GITHUB_ENV
+
       - name: Checkout
-        uses: actions/checkout@v6.0.1
+        uses: actions/checkout@v6
         with:
           submodules: recursive
 
@@ -26,8 +44,7 @@ jobs:
         uses: docker/metadata-action@v5
         with:
           # list of Docker images to use as base name for tags
-          images: |
-            dessimozlab/fastoma
+          images: ${{ env.REGISTRY_IMAGE }}
           # generate Docker tags based on the following events/attributes
           tags: |
             type=schedule
@@ -47,40 +64,99 @@ jobs:
       - name: Set up Docker Buildx
         uses: docker/setup-buildx-action@v3
 
-      - name: Build and export to docker for testing
+      - name: Login to DockerHub
+        uses: docker/login-action@v3
+        with:
+          username: ${{ secrets.DOCKER_HUB_USERNAME }}
+          password: ${{ secrets.DOCKER_HUB_ACCESS_TOKEN }}
+
+      - name: Build and push by digest only
+        id: build
         uses: docker/build-push-action@v6
         with:
           context: .
-          load: true
-          tags: ${{ env.TEST_TAG }}
+          platforms: ${{ matrix.platform }}
+          tags: ${{ env.REGISTRY_IMAGE }}
+          labels: ${{ steps.meta.outputs.labels }}
+          outputs: type=image,push-by-digest=true,name-canonical=true,push=true
+          provenance: mode=max
+          sbom: true
+
+      - name: Export digest
+        run: |
+          mkdir -p ${{ runner.temp }}/digests
+          digest="${{ steps.build.outputs.digest }}"
+          touch "${{ runner.temp }}/digests/${digest#sha256:}"
 
-      #- name: Test
-      #  run: |
-      #    docker run --rm -i -v $PWD/tests:/input -v $PWD/tests/:/reads -v $PWD/output:/out -v $PWD/run:/run ${{ env.TEST_TAG }} --tree --standalone_path /input/marker_genes --dna_reference /input/cds-marker_genes.fasta.gz --reads /reads/sample_1.fastq --output_path /out
-      #    if [ ! -f output/tree_sample_1.nwk ] ; then exit 1; fi
+      - name: Upload digest
+        uses: actions/upload-artifact@v7
+        with:
+          name: digests-${{ env.PLATFORM_PAIR }}
+          path: ${{ runner.temp }}/digests/*
+          if-no-files-found: error
+          retention-days: 1
+
+  merge:
+    runs-on: ubuntu-latest
+    needs:
+      - build
+    steps:
+      - name: Download digests
+        uses: actions/download-artifact@v8
+        with:
+          path: ${{ runner.temp }}/digests
+          pattern: digests-*
+          merge-multiple: true
 
       - name: Login to DockerHub
         uses: docker/login-action@v3
         with:
           username: ${{ secrets.DOCKER_HUB_USERNAME }}
           password: ${{ secrets.DOCKER_HUB_ACCESS_TOKEN }}
 
-      - name: Set platforms
-        id: set_platforms
+      - name: Set up Docker Buildx
+        uses: docker/setup-buildx-action@v3
+
+      - name: Docker meta
+        id: meta
+        uses: docker/metadata-action@v5
+        with:
+          images: ${{ env.REGISTRY_IMAGE }}
+          tags: |
+            type=schedule
+            type=ref,event=branch
+            type=ref,event=pr
+            type=semver,pattern={{version}}
+            type=semver,pattern={{major}}.{{minor}}
+            type=semver,pattern={{major}}
+            type=sha
+          labels: |
+            org.opencontainers.image.source=${{ github.repository }}
+            org.opencontainers.image.revision=${{ github.sha }}
+
+      - name: Create manifest list and push
+        working-directory: ${{ runner.temp }}/digests
         run: |
-          echo "github ref: ${GITHUB_REF}"
-          if [[ "${GITHUB_REF##*/}" == "main" || "${GITHUB_REF##*/}" == "dev" || "${GITHUB_REF}" == "refs/tags/"* ]]; then
-            echo "platforms=linux/amd64,linux/arm64" >> $GITHUB_OUTPUT
-          else
-            echo "platforms=linux/amd64" >> $GITHUB_OUTPUT
-          fi
-
-      - name: Build and push
-        uses: docker/build-push-action@v6
+          docker buildx imagetools create $(jq -cr '.tags | map("-t " + .) | join(" ")' <<< "$DOCKER_METADATA_OUTPUT_JSON") \
+            $(printf '${{ env.REGISTRY_IMAGE }}@sha256:%s ' *)
+
+      - name: Inspect image
+        run: |
+          docker buildx imagetools inspect ${{ env.REGISTRY_IMAGE }}:${{ steps.meta.outputs.version }}
+
+  publish-doc:
+    runs-on: ubuntu-latest
+    needs:
+      - merge
+
+    steps:
+      - name: Checkout
+        uses: actions/checkout@v6
+
+      - name: Update repo description
+        uses: peter-evans/dockerhub-description@v5
         with:
-          context: .
-          platforms: ${{ steps.set_platforms.outputs.platforms }}
-          push: true
-          #${{ github.event_name != 'push' && github.event_name != 'pull_request' }}
-          tags: ${{ steps.meta.outputs.tags }}
-          labels: ${{ steps.meta.outputs.labels }}
+          username: ${{ secrets.DOCKER_HUB_USERNAME }}
+          password: ${{ secrets.DOCKER_HUB_ACCESS_TOKEN }}
+          repository: ${{ env.REGISTRY_IMAGE }}
+          readme-filepath: ./README.md

.github/workflows/nf-test.yml

@@ -12,11 +12,13 @@ on:
 env:
   NFT_DIFF: "pdiff"
   NFT_DIFF_ARGS: "--line-numbers --width 120 --expand-tabs=2"
-  NFT_VER: "0.9.2"
-  NFT_WORKDIR: "${{ github.workspace }}/nf-test-work"
+  NFT_VER: "0.9.4"
+  NFT_WORKDIR: "/tmp/nft-test"
+  NXF_WORK: "/tmp/nxf-work"
   NXF_ANSI_LOG: false
   NXF_SINGULARITY_CACHEDIR: ${{ github.workspace }}/.singularity
   NXF_SINGULARITY_LIBRARYDIR: ${{ github.workspace }}/.singularity
+  NXF_CONDA_CACHEDIR: "/tmp/conda"
 
 concurrency:
   group: "${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}"
@@ -40,15 +42,15 @@ jobs:
 
     steps:
       - name: Check out pipeline code
-        uses: actions/checkout@8e8c483db84b4bee98b60c0593521ed34d9990e8 # v4
+        uses: actions/checkout@0c366fd6a839edf440554fa01a7085ccba70ac98 # v4
         with:
           fetch-depth: 0
 
-      - uses: actions/setup-python@f677139bbe7f9c59b41e40162b753c062f5d49a3 # v5
+      - uses: actions/setup-python@83679a892e2d95755f2dac6acb0bfd1e9ac5d548 # v5
         with:
           python-version: "3.11"
 
-      - uses: actions/setup-java@f2beeb24e141e01a676f977032f5a29d81c9e27e # v4
+      - uses: actions/setup-java@be666c2fcd27ec809703dec50e508c2fdc7f6654 # v4
         with:
           distribution: "temurin"
           java-version: "17"
@@ -78,7 +80,7 @@ jobs:
 
       - name: Set up miniconda
         if: matrix.profile == 'conda'
-        uses: conda-incubator/setup-miniconda@835234971496cad1653abb28a638a281cf32541f # v3
+        uses: conda-incubator/setup-miniconda@fc2d68f6413eb2d87b895e92f8584b5b94a10167 # v3
         with:
           miniconda-version: "latest"
           auto-update-conda: true
@@ -143,7 +145,7 @@ jobs:
 
       - name: Upload test results
         if: always()  # run even if tests fail
-        uses: actions/upload-artifact@v6
+        uses: actions/upload-artifact@v7
         with:
           name: nf-test-results-${{ matrix.filter }}-${{ matrix.profile }}-${{ matrix.NXF_VER }}-${{ matrix.shard }}
           path: |

.github/workflows/publish-pypi-release.yml

@@ -14,7 +14,7 @@ jobs:
       id-token: write
 
     steps:
-    - uses: actions/checkout@v6.0.1
+    - uses: actions/checkout@v6
     - name: Set up Python
       uses: actions/setup-python@v6
       with:

Dockerfile

@@ -15,17 +15,21 @@ RUN apt-get update \
     && rm -rf /var/lib/apt/lists/*
 
 WORKDIR /src
-RUN pip install --upgrade hatch pip
+RUN pip install --upgrade pip \
+    && pip install "hatch<1.17" "virtualenv<20.26"
 COPY pyproject.toml .
-RUN python -m venv /app \
-    && hatch dep show requirements --all > requirements.txt \
-    && /app/bin/pip install wheel setuptools \
-    && /app/bin/pip install -r requirements.txt
+
+RUN hatch dep show requirements --all > requirements.txt \
+    && pip install wheel setuptools -r requirements.txt
 
 COPY . .
-RUN ls -la \
-    && hatch build \
-    && ls -la dist/ \
+RUN hatch build \
+    && ls -la dist/
+
+# Create a clean venv for runtime and install the wheel
+RUN python -m venv /app \
+    && /app/bin/pip install --upgrade pip wheel setuptools \
+    && /app/bin/pip install -r requirements.txt \
     && /app/bin/pip install dist/*.whl
 
 
@@ -44,3 +48,5 @@ RUN apt-get update \
 
 COPY --from=builder /app /app
 ENV PATH="/app/bin:$PATH"
+
+RUN python -c "import FastOMA; print(FastOMA.__version__)"

FastOMA/_infer_subhog.py

@@ -30,6 +30,7 @@
 from ._utils_subhog import MSAFilter, MSAFilterElbow, MSAFilterTrimAL
 
 from .zoo.utils import unique
+from .zoo.wrappers import WrapperError
 
 low_so_detection = True # detection of proteins with low species overlap score in gene tree
 fragment_detection = True  # this also need to be consistent in _hog_class.py
@@ -76,10 +77,15 @@ def read_infer_xml_rhog(rhogid, inferhog_concurrent_on, pickles_rhog_folder,  pi
     species_names_rhog = list(set(species_names_rhog))
     logger.info("Number of unique species in rHOG " + rhogid + " is " + str(len(species_names_rhog)) + ".")
 
-    if inferhog_concurrent_on:  # for big HOG we use parallelization at the level taxonomic level using concurrent
-        infer_hogs_concurrent(species_tree, rhogid, pickles_subhog_folder_all, rhogs_fa_folder, conf_infer_subhhogs)
-    else:
-        infer_hogs_for_rhog_levels_recursively(species_tree, rhogid, pickles_subhog_folder_all, rhogs_fa_folder, conf_infer_subhhogs)
+    try:
+        if inferhog_concurrent_on:  # for big HOG we use parallelization at the level taxonomic level using concurrent
+            infer_hogs_concurrent(species_tree, rhogid, pickles_subhog_folder_all, rhogs_fa_folder, conf_infer_subhhogs)
+        else:
+            infer_hogs_for_rhog_levels_recursively(species_tree, rhogid, pickles_subhog_folder_all, rhogs_fa_folder, conf_infer_subhhogs)
+    except WrapperError as e:
+        logger.exception("Error of external tool during subhog inference: %s", str(e))
+        sys.exit(getattr(e, "exit_code", 1))
+
 
     #####  Now read the final pickle file for this rootHOG
     root_node_name = species_tree.name

FastOMA/zoo/utils.py

@@ -109,4 +109,18 @@ def unique(seq):
     return [x for x in seq if x not in seen and not seen.add(x)]
 
 
-
+def summarize_long_message(message: str, head_chars: int = 1000, tail_lines: int = 50) -> str:
+    """
+    Summarize a potentially long messge string.
+    Shows first head_chars characters and last tail_lines lines with ellipsis.
+    """
+    output = message or ""
+    # Get last tail_lines
+    lines = output.splitlines()
+    tail = "\n".join(lines[-tail_lines:]) if len(lines) > tail_lines else "\n".join(lines)
+    # Get first head_chars
+    head = output[:head_chars] + ("…" if len(output) > head_chars else "")
+    if len(lines) > tail_lines or len(output) > head_chars:
+        return f"{head}\n...\n{tail}"
+    else:
+        return output

FastOMA/zoo/wrappers/__init__.py

@@ -1,4 +1,6 @@
 class WrapperError(Exception):
-    pass
+    def __init__(self, message, exit_code=1):
+        super().__init__(message)
+        self.exit_code = exit_code
 
 

FastOMA/zoo/wrappers/aligners/mafft.py

@@ -7,6 +7,7 @@
 from .base_aligner import Aligner, AlignmentInput, DataType
 from ...seq_utils.utils import iter_seqrecs_from_any
 from ...wrappers import WrapperError
+from ...utils import summarize_long_message
 from ..options import StringOption, FlagOption, IntegerOption, FloatOption, MultiOption, OptionSet
 import tempfile
 import logging
@@ -120,7 +121,8 @@ def __call__(self, *args, **kwargs):
         logger.debug('Output of Mafft: stdout={}; stderr={}'.format(output, error))
         if len(output) == 0 and len(error) > 0:
             logger.warning('is MAFFT_BINARIES set correctly: {}'.format(os.getenv('MAFFT_BINARIES', '')))
-            raise WrapperError('Mafft did not compute any alignments. StdErr: {}'.format(error))
+            logger.warning("Mafft did not compute any alignments. StdErr:\n%s", summarize_long_message(error))
+            raise WrapperError('Mafft did not compute any alignments')
         self.result = self._read_result(output)  # store result
         self.stdout = output
         self.stderr = error
@@ -140,6 +142,20 @@ def _call(self, filename, *args, **kwargs):
         """
         self.cli('{} {}'.format(self.command(), filename),
                  wait=True)
+
+        ret = self.cli.process.returncode
+        if ret != 0:
+            logger.error('Mafft returned non-zero exit status: {}'.format(ret))
+            logger.error('Output of Mafft:\n\n%s\nstdout=\n%s\n%s\n\n%s\nstderr=\n%s\n%s\n\n',
+                         "=" * 30, "=" * 30, summarize_long_message(self.cli.get_stdout()),
+                         "=" * 30, "=" * 30, summarize_long_message(self.cli.get_stderr()))
+            if ret < 0:
+                sig = -ret
+                raise WrapperError(f'Mafft was terminated by signal {sig}', exit_code=128 + sig)
+            else:
+                if ret == 1 and (was_oom_killed() or "Killed" in self.cli.get_stderr()):
+                    raise WrapperError(f'Mafft was killed by the kernel due to running out of memory', exit_code=137)
+                raise WrapperError(f'Mafft exited with code {ret}', exit_code=ret)
         return self.cli.get_stdout(), self.cli.get_stderr()
 
     def command(self):
@@ -334,3 +350,17 @@ def get_default_options():
         StringOption('--merge', '', active=False),
         IntegerOption('--thread', -1, active=False),
     ])
+
+
+def was_oom_killed():
+    """
+    Check if the process was killed by the kernel due to running out of memory.
+    """
+    try:
+        with open("/sys/fs/cgroup/memory.events") as f:
+            for line in f:
+                if line.startswith("oom_kill"):
+                    return int(line.split()[1]) > 0
+    except FileNotFoundError:
+        return False
+    return False