diff --git a/.dockerignore b/.dockerignore index eb58af287ce..9fdac0a3b14 100644 --- a/.dockerignore +++ b/.dockerignore @@ -12,7 +12,3 @@ fmriprep.egg-info/**/* fmriprep.egg-info .eggs/**/* .eggs - -.venv -.pixi -.tox diff --git a/Dockerfile b/Dockerfile index d52726ddf17..e71f9f29de9 100644 --- a/Dockerfile +++ b/Dockerfile @@ -22,79 +22,226 @@ # OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE # SOFTWARE. -ARG BASE_IMAGE=ghcr.io/nipreps/fmriprep-base:20251006 +# Ubuntu 22.04 LTS - Jammy +ARG BASE_IMAGE=ubuntu:jammy-20240125 # -# Build pixi environment -# The Pixi environment includes: -# - Python -# - Scientific Python stack (via conda-forge) -# - General Python dependencies (via PyPI) -# - FSL (via fslconda) -# - ants (via conda-forge) -# - connectome-workbench (via conda-forge) -# - ... +# Build wheel # -FROM ghcr.io/prefix-dev/pixi:0.53.0 AS build +FROM python:slim AS src +RUN pip install build +RUN apt-get update && \ + apt-get install -y --no-install-recommends git +COPY . /src +RUN python -m build /src + +# +# Download stages +# + +# Utilities for downloading packages +FROM ${BASE_IMAGE} as downloader +# Bump the date to current to refresh curl/certificates/etc +RUN echo "2024.03.08" RUN apt-get update && \ apt-get install -y --no-install-recommends \ + binutils \ + bzip2 \ ca-certificates \ - git && \ + curl \ + unzip && \ apt-get clean && rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/* -# Run post-link scripts during install, but use global to keep out of source tree -RUN pixi config set --global run-post-link-scripts insecure - -# Install dependencies before the package itself to leverage caching -RUN mkdir /app -COPY pixi.lock pyproject.toml /app -WORKDIR /app -RUN --mount=type=cache,target=/root/.cache/rattler pixi install -e niworkflows -e test --frozen --skip niworkflows -# Note that PATH gets hard-coded. Remove it and re-apply in final image -RUN pixi shell-hook -e niworkflows --as-is | grep -v PATH > /shell-hook.sh -RUN pixi shell-hook -e test --as-is | grep -v PATH > /test-shell-hook.sh - -# Finally, install the package -COPY . /app -RUN --mount=type=cache,target=/root/.cache/rattler pixi install -e niworkflows -e test --frozen -# -# Pre-fetch templates -# -FROM ghcr.io/astral-sh/uv:python3.12-alpine AS templates -ENV TEMPLATEFLOW_HOME="/templateflow" -RUN uv pip install --system templateflow -COPY docker/fetch_templates.py fetch_templates.py -RUN python fetch_templates.py +# FreeSurfer 7.3.2 +FROM downloader as freesurfer +COPY docker/files/freesurfer7.3.2-exclude.txt /usr/local/etc/freesurfer7.3.2-exclude.txt +RUN curl -sSL https://surfer.nmr.mgh.harvard.edu/pub/dist/freesurfer/7.3.2/freesurfer-linux-ubuntu22_amd64-7.3.2.tar.gz \ + | tar zxv --no-same-owner -C /opt --exclude-from=/usr/local/etc/freesurfer7.3.2-exclude.txt + +# AFNI +FROM downloader as afni +# Bump the date to current to update AFNI +RUN echo "2024.03.08" +RUN mkdir -p /opt/afni-latest \ + && curl -fsSL --retry 5 https://afni.nimh.nih.gov/pub/dist/tgz/linux_openmp_64.tgz \ + | tar -xz -C /opt/afni-latest --strip-components 1 \ + --exclude "linux_openmp_64/*.gz" \ + --exclude "linux_openmp_64/funstuff" \ + --exclude "linux_openmp_64/shiny" \ + --exclude "linux_openmp_64/afnipy" \ + --exclude "linux_openmp_64/lib/RetroTS" \ + --exclude "linux_openmp_64/lib_RetroTS" \ + --exclude "linux_openmp_64/meica.libs" \ + # Keep only what we use + && find /opt/afni-latest -type f -not \( \ + -name "3dTshift" -or \ + -name "3dUnifize" -or \ + -name "3dAutomask" -or \ + -name "3dvolreg" \) -delete + +# Micromamba +FROM downloader as micromamba + +# Install a C compiler to build extensions when needed. +# traits<6.4 wheels are not available for Python 3.11+, but build easily. +RUN apt-get update && \ + apt-get install -y --no-install-recommends build-essential && \ + apt-get clean && rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/* + +WORKDIR / +# Bump the date to current to force update micromamba +RUN echo "2024.03.08" +RUN curl -Ls https://micro.mamba.pm/api/micromamba/linux-64/latest | tar -xvj bin/micromamba +ENV MAMBA_ROOT_PREFIX="/opt/conda" +COPY env.yml /tmp/env.yml +COPY requirements.txt /tmp/requirements.txt +WORKDIR /tmp +RUN micromamba create -y -f /tmp/env.yml && \ + micromamba clean -y -a # # Main stage # -FROM ${BASE_IMAGE} AS base +FROM ${BASE_IMAGE} as main + +# Configure apt +ENV DEBIAN_FRONTEND="noninteractive" \ + LANG="en_US.UTF-8" \ + LC_ALL="en_US.UTF-8" + +# Some baseline tools; bc is needed for FreeSurfer, so don't drop it +RUN apt-get update && \ + apt-get install -y --no-install-recommends \ + bc \ + ca-certificates \ + curl \ + git \ + gnupg \ + lsb-release \ + netbase \ + xvfb && \ + apt-get clean && rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/* + +# Configure PPAs for libpng12 and libxp6 +RUN GNUPGHOME=/tmp gpg --keyserver hkps://keyserver.ubuntu.com --no-default-keyring --keyring /usr/share/keyrings/linuxuprising.gpg --recv 0xEA8CACC073C3DB2A \ + && GNUPGHOME=/tmp gpg --keyserver hkps://keyserver.ubuntu.com --no-default-keyring --keyring /usr/share/keyrings/zeehio.gpg --recv 0xA1301338A3A48C4A \ + && echo "deb [signed-by=/usr/share/keyrings/linuxuprising.gpg] https://ppa.launchpadcontent.net/linuxuprising/libpng12/ubuntu jammy main" > /etc/apt/sources.list.d/linuxuprising.list \ + && echo "deb [signed-by=/usr/share/keyrings/zeehio.gpg] https://ppa.launchpadcontent.net/zeehio/libxp/ubuntu jammy main" > /etc/apt/sources.list.d/zeehio.list + +# Dependencies for AFNI; requires a discontinued multiarch-support package from bionic (18.04) +RUN apt-get update -qq \ + && apt-get install -y -q --no-install-recommends \ + ed \ + gsl-bin \ + libglib2.0-0 \ + libglu1-mesa-dev \ + libglw1-mesa \ + libgomp1 \ + libjpeg62 \ + libpng12-0 \ + libxm4 \ + libxp6 \ + netpbm \ + tcsh \ + xfonts-base \ + xvfb \ + && curl -sSL --retry 5 -o /tmp/multiarch.deb http://archive.ubuntu.com/ubuntu/pool/main/g/glibc/multiarch-support_2.27-3ubuntu1.5_amd64.deb \ + && dpkg -i /tmp/multiarch.deb \ + && rm /tmp/multiarch.deb \ + && apt-get install -f \ + && apt-get clean && rm -rf /var/lib/apt/lists/* /tmp/* /var/tmp/* \ + && gsl2_path="$(find / -name 'libgsl.so.19' || printf '')" \ + && if [ -n "$gsl2_path" ]; then \ + ln -sfv "$gsl2_path" "$(dirname $gsl2_path)/libgsl.so.0"; \ + fi \ + && ldconfig + +# Install files from stages +COPY --from=freesurfer /opt/freesurfer /opt/freesurfer +COPY --from=afni /opt/afni-latest /opt/afni-latest + +# Simulate SetUpFreeSurfer.sh +ENV OS="Linux" \ + FS_OVERRIDE=0 \ + FIX_VERTEX_AREA="" \ + FSF_OUTPUT_FORMAT="nii.gz" \ + FREESURFER_HOME="/opt/freesurfer" +ENV SUBJECTS_DIR="$FREESURFER_HOME/subjects" \ + FUNCTIONALS_DIR="$FREESURFER_HOME/sessions" \ + MNI_DIR="$FREESURFER_HOME/mni" \ + LOCAL_DIR="$FREESURFER_HOME/local" \ + MINC_BIN_DIR="$FREESURFER_HOME/mni/bin" \ + MINC_LIB_DIR="$FREESURFER_HOME/mni/lib" \ + MNI_DATAPATH="$FREESURFER_HOME/mni/data" +ENV PERL5LIB="$MINC_LIB_DIR/perl5/5.8.5" \ + MNI_PERL5LIB="$MINC_LIB_DIR/perl5/5.8.5" \ + PATH="$FREESURFER_HOME/bin:$FREESURFER_HOME/tktools:$MINC_BIN_DIR:$PATH" + +# AFNI config +ENV PATH="/opt/afni-latest:$PATH" \ + AFNI_IMSAVE_WARNINGS="NO" \ + AFNI_PLUGINPATH="/opt/afni-latest" # Create a shared $HOME directory RUN useradd -m -s /bin/bash -G users niworkflows WORKDIR /home/niworkflows -ENV HOME="/home/niworkflows" - -COPY --link --from=templates /templateflow /home/fmriprep/.cache/templateflow - -RUN chmod -R go=u $HOME +ENV HOME="/home/niworkflows" \ + LD_LIBRARY_PATH="/usr/lib/x86_64-linux-gnu:$LD_LIBRARY_PATH" + +COPY --from=micromamba /bin/micromamba /bin/micromamba +COPY --from=micromamba /opt/conda/envs/niworkflows /opt/conda/envs/niworkflows + +ENV MAMBA_ROOT_PREFIX="/opt/conda" +RUN micromamba shell init -s bash && \ + echo "micromamba activate niworkflows" >> $HOME/.bashrc +ENV PATH="/opt/conda/envs/niworkflows/bin:$PATH" \ + CPATH="/opt/conda/envs/niworkflows/include:$CPATH" \ + LD_LIBRARY_PATH="/opt/conda/envs/niworkflows/lib:$LD_LIBRARY_PATH" + +COPY docker/fetch_templates.py /tmp/fetch_templates.py +RUN python /tmp/fetch_templates.py && \ + rm /tmp/fetch_templates.py && \ + find $HOME/.cache/templateflow -type d -exec chmod go=u {} + && \ + find $HOME/.cache/templateflow -type f -exec chmod go=u {} + + +# FSL environment +ENV LANG="C.UTF-8" \ + LC_ALL="C.UTF-8" \ + PYTHONNOUSERSITE=1 \ + FSLDIR="/opt/conda/envs/fmriprep" \ + FSLOUTPUTTYPE="NIFTI_GZ" \ + FSLMULTIFILEQUIT="TRUE" \ + FSLLOCKDIR="" \ + FSLMACHINELIST="" \ + FSLREMOTECALL="" \ + FSLGECUDAQ="cuda.q" # Unless otherwise specified each process should only use one thread - nipype # will handle parallelization ENV MKL_NUM_THREADS=1 \ OMP_NUM_THREADS=1 -COPY docker/files/nipype.cfg /home/niworkflows/.nipype/nipype.cfg - -WORKDIR /tmp +# Installing niworkflows +COPY --from=src /src/dist/*.whl . +RUN pip install --no-cache-dir $( ls *.whl )[all] -FROM base AS test +COPY docker/files/nipype.cfg /home/niworkflows/.nipype/nipype.cfg -COPY --link --from=build /app/.pixi/envs/test /app/.pixi/envs/test -COPY --link --from=build /test-shell-hook.sh /shell-hook.sh -RUN cat /shell-hook.sh >> $HOME/.bashrc -ENV PATH="/app/.pixi/envs/test/bin:$PATH" +# Cleanup and ensure perms. +RUN rm -rf $HOME/.npm $HOME/.conda $HOME/.empty && \ + find $HOME -type d -exec chmod go=u {} + && \ + find $HOME -type f -exec chmod go=u {} + -ENV FSLDIR="/app/.pixi/envs/test" +# Final settings +WORKDIR /tmp +ARG BUILD_DATE +ARG VCS_REF +LABEL org.label-schema.build-date=$BUILD_DATE \ + org.label-schema.name="niworkflows" \ + org.label-schema.description="niworkflows - NeuroImaging workflows" \ + org.label-schema.url="https://github.com/nipreps/niworkflows" \ + org.label-schema.vcs-ref=$VCS_REF \ + org.label-schema.vcs-url="https://github.com/nipreps/niworkflows" \ + org.label-schema.version=$VERSION \ + org.label-schema.schema-version="1.0" diff --git a/env.yml b/env.yml new file mode 100644 index 00000000000..389ebfbb95c --- /dev/null +++ b/env.yml @@ -0,0 +1,36 @@ +name: niworkflows +channels: + - https://fsl.fmrib.ox.ac.uk/fsldownloads/fslconda/public/ + - conda-forge +# Update this ~yearly; last updated Mar 2025 +dependencies: + - python=3.12 + # Intel Math Kernel Library for numpy + - mkl=2024.2.2 + - mkl-service=2.4.2 + # Base scientific python stack; required by FSL, so pinned here + - numpy=1.26 + - scipy=1.15 + - matplotlib=3.9 + - pandas=2.2 + - h5py=3.13 + # Dependencies compiled against numpy, best to stick with conda + - scikit-image=0.25 + - scikit-learn=1.6 + # Utilities + - graphviz=11.0 + # Workflow dependencies: ANTs + - ants=2.5 + # 5.4.1 and 5.4.2 cause segfaults with ants + # Try to remove this ASAP + # https://github.com/conda-forge/ants-feedstock/issues/19 + - libitk=5.4.0 + # Workflow dependencies: FSL (versions pinned in 6.0.7.13) + - fsl-bet2=2111.8 + - fsl-flirt=2111.2 + - fsl-fast4=2111.3 + - fsl-mcflirt=2111.0 + - fsl-miscmaths=2203.2 + - pip + - pip: + - -r requirements.txt diff --git a/pixi.lock b/pixi.lock deleted file mode 100644 index 37a5d1abc53..00000000000 --- a/pixi.lock +++ /dev/null @@ -1,5360 +0,0 @@ -version: 6 -environments: - default: - channels: - - url: https://fsl.fmrib.ox.ac.uk/fsldownloads/fslconda/public/ - - url: https://conda.anaconda.org/conda-forge/ - indexes: - - https://pypi.org/simple - packages: - linux-64: - - conda: https://conda.anaconda.org/conda-forge/linux-64/_openmp_mutex-4.5-5_kmp_llvm.conda - - conda: https://conda.anaconda.org/conda-forge/linux-64/alsa-lib-1.2.14-hb9d3cd8_0.conda - - conda: https://conda.anaconda.org/conda-forge/linux-64/ants-2.5.4-h8c3795b_0.conda - - conda: https://conda.anaconda.org/conda-forge/linux-64/aom-3.9.1-hac33072_0.conda - - conda: https://conda.anaconda.org/conda-forge/linux-64/atk-1.0-2.38.0-h04ea711_2.conda - - conda: 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- purls: [] - size: 554846 - timestamp: 1714722996770 diff --git a/pyproject.toml b/pyproject.toml index dcebed108d6..513dbecd48a 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -231,9 +231,12 @@ ignore-words-list = "objekt,nd" channels = ["https://fsl.fmrib.ox.ac.uk/fsldownloads/fslconda/public", "conda-forge"] platforms = ["linux-64"] -[tool.pixi.activation.env] +[tool.pixi.feature.niworkflows.activation.env] FSLDIR = "$CONDA_PREFIX" +[tool.pixi.pypi-dependencies] +niworkflows = { path = ".", editable = true } + [tool.pixi.environments] default = { features = ["editable"], solve-group = "default" } test = { features = ["editable", "tests"], solve-group = "default" } diff --git a/requirements.txt b/requirements.txt new file mode 100644 index 00000000000..7dcb1e07407 --- /dev/null +++ b/requirements.txt @@ -0,0 +1,243 @@ +# This file was autogenerated by uv via the following command: +# uv pip compile --strip-extras pyproject.toml -o requirements.txt -p 3.12 -c- +acres==0.3.0 + # via + # niworkflows (pyproject.toml) + # nipype +attrs==25.1.0 + # via + # niworkflows (pyproject.toml) + # jsonschema + # referencing +bids-validator==1.14.7.post0 + # via pybids +bidsschematools==1.0.3 + # via bids-validator +certifi==2025.1.31 + # via requests +charset-normalizer==3.4.1 + # via requests +ci-info==0.3.0 + # via etelemetry +click==8.1.8 + # via + # bidsschematools + # nipype + # pybids +contourpy==1.3.1 + # via matplotlib +cycler==0.12.1 + # via matplotlib +docopt==0.6.2 + # via num2words +etelemetry==0.3.1 + # via nipype +filelock==3.17.0 + # via nipype +fonttools==4.56.0 + # via matplotlib +formulaic==1.1.1 + # via pybids +frozendict==2.4.6 + # via pybids +fsspec==2025.2.0 + # via universal-pathlib +greenlet==3.1.1 + # via sqlalchemy +h5py==3.13.0 + # via nitransforms +idna==3.10 + # via requests +imageio==2.37.0 + # via scikit-image +interface-meta==1.3.0 + # via formulaic +isodate==0.6.1 + # via rdflib +jinja2==3.1.6 + # via niworkflows (pyproject.toml) +joblib==1.4.2 + # via + # nilearn + # scikit-learn +jsonschema==4.23.0 + # via bidsschematools +jsonschema-specifications==2024.10.1 + # via jsonschema +kiwisolver==1.4.8 + # via matplotlib +lazy-loader==0.4 + # via scikit-image +looseversion==1.3.0 + # via + # niworkflows (pyproject.toml) + # nipype +lxml==5.3.1 + # via + # nilearn + # prov + # svgutils +markupsafe==3.0.2 + # via jinja2 +matplotlib==3.9.4 + # via + # niworkflows (pyproject.toml) + # seaborn +networkx==3.4.2 + # via + # nipype + # prov + # scikit-image +nibabel==5.3.2 + # via + # niworkflows (pyproject.toml) + # nilearn + # nipype + # nitransforms + # pybids +nilearn==0.11.1 + # via niworkflows (pyproject.toml) +nipype==1.9.2 + # via niworkflows (pyproject.toml) +nitransforms==24.1.1 + # via niworkflows (pyproject.toml) +num2words==0.5.14 + # via pybids +numpy==1.26.4 + # via + # niworkflows (pyproject.toml) + # contourpy + # formulaic + # h5py + # imageio + # matplotlib + # nibabel + # nilearn + # nipype + # nitransforms + # pandas + # pybids + # scikit-image + # scikit-learn + # scipy + # seaborn + # tifffile + # transforms3d +packaging==24.2 + # via + # niworkflows (pyproject.toml) + # etelemetry + # lazy-loader + # matplotlib + # nibabel + # nilearn + # nipype + # scikit-image +pandas==2.2.3 + # via + # niworkflows (pyproject.toml) + # formulaic + # nilearn + # pybids + # seaborn +pillow==11.1.0 + # via + # imageio + # matplotlib + # scikit-image +prov==2.0.1 + # via nipype +puremagic==1.28 + # via nipype +pybids==0.19.0 + # via + # niworkflows (pyproject.toml) + # templateflow +pydot==3.0.4 + # via nipype +pyparsing==3.2.1 + # via + # matplotlib + # pydot + # rdflib +python-dateutil==2.9.0.post0 + # via + # matplotlib + # nipype + # pandas + # prov +pytz==2025.1 + # via pandas +pyyaml==6.0.2 + # via + # niworkflows (pyproject.toml) + # bidsschematools +rdflib==6.3.2 + # via + # nipype + # prov +referencing==0.36.2 + # via + # jsonschema + # jsonschema-specifications +requests==2.32.4 + # via + # etelemetry + # nilearn + # templateflow +rpds-py==0.23.1 + # via + # jsonschema + # referencing +scikit-image==0.25.2 + # via niworkflows (pyproject.toml) +scikit-learn==1.6.1 + # via nilearn +scipy==1.15.2 + # via + # niworkflows (pyproject.toml) + # formulaic + # nilearn + # nipype + # nitransforms + # pybids + # scikit-image + # scikit-learn +seaborn==0.13.2 + # via niworkflows (pyproject.toml) +simplejson==3.20.1 + # via nipype +six==1.17.0 + # via + # isodate + # python-dateutil +sqlalchemy==2.0.38 + # via pybids +svgutils==0.3.4 + # via niworkflows (pyproject.toml) +templateflow==24.2.2 + # via niworkflows (pyproject.toml) +threadpoolctl==3.5.0 + # via scikit-learn +tifffile==2025.2.18 + # via scikit-image +tqdm==4.67.1 + # via templateflow +traits==7.0.2 + # via nipype +transforms3d==0.4.2 + # via niworkflows (pyproject.toml) +typing-extensions==4.12.2 + # via + # formulaic + # nibabel + # referencing + # sqlalchemy +tzdata==2025.1 + # via pandas +universal-pathlib==0.2.6 + # via pybids +urllib3==2.5.0 + # via requests +wrapt==1.17.2 + # via formulaic