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55a8c11
add new dependency to pyproject.toml
konstpieper Feb 24, 2026
b904b34
making sinuoidal work
Mar 30, 2026
172802a
adding ras support to dial
Mar 30, 2026
f271fd3
Small fixes to RAS client output
konstpieper Mar 31, 2026
a50c968
fixes to the backend
konstpieper Mar 31, 2026
c48f6bc
remove .vscode
konstpieper Mar 31, 2026
f61b8f9
rename RAS to SABLE and use new repository
konstpieper Apr 1, 2026
0ebb5af
swap from PDM to UV
Lance-Drane Apr 2, 2026
a6fd76b
Merge branch 'infra-rehaul' into initial_benchmarking
Lance-Drane Apr 6, 2026
bda1b3c
fix scripts
Lance-Drane Apr 6, 2026
2d64008
add initial rosenbrock functions
Lance-Drane Apr 6, 2026
68e2f9c
add multiprocessing to rosenbrock report generator, add strain mappin…
Lance-Drane Apr 6, 2026
fd6e4a4
add Konstantin's hyperparameter suggestions to Rosenbrock, add multip…
Lance-Drane Apr 6, 2026
6d6a4df
add initial strainmap benchmark
konstpieper Apr 6, 2026
b0a4859
Merge branch 'initial_benchmarking' of code.ornl.gov:intersect/dialed…
konstpieper Apr 6, 2026
d0e02fd
normalize sklearn defaults to saner values
Lance-Drane Apr 6, 2026
7a9a6d2
fix uncertainty acquisition function
konstpieper Apr 6, 2026
e276244
finish initial strainmap benchmark
konstpieper Apr 6, 2026
e319812
Merge remote-tracking branch 'origin/initial_benchmarking' into initi…
konstpieper Apr 6, 2026
f1fe11e
tune the Rosenbrock benchmark, make more challenging
konstpieper Apr 6, 2026
da47db6
Merge branch 'sable' into initial_benchmarking_sable
konstpieper Apr 7, 2026
a2b5a64
add sable backend to strain_mapping benchmark
konstpieper Apr 7, 2026
60d3909
force length_scale_bounds to be fixed in benchmark
Lance-Drane Apr 7, 2026
c79f852
Merge remote-tracking branch 'gitlab-2/initial_benchmarking_sable' in…
Lance-Drane Apr 7, 2026
8b18cfb
fix hatch build with uv sync
Lance-Drane Apr 7, 2026
b7fbe3c
move matplotlib to development dependencies group
Lance-Drane Apr 7, 2026
8d8cfc5
update INTERSECT-SDK to 0.9.0, give better traceback logs to clients
Lance-Drane Apr 20, 2026
78f90b3
pin intersect_sdk version to non-breaking range
Lance-Drane Apr 20, 2026
20d57e5
fix typings for intersect-sdk 0.9 client scripts
Lance-Drane Apr 20, 2026
8a4e38b
service start script: set up logger before importing DIAL
Lance-Drane Apr 20, 2026
806db0e
add best history graph to rosenbrock benchmarks
Lance-Drane May 8, 2026
5d46730
Merge remote-tracking branch 'origin/develop' into initial_benchmarking
Lance-Drane May 8, 2026
44a93e0
fix Docker build
Lance-Drane May 8, 2026
9c49be6
temporarily allow tests to fail
Lance-Drane May 8, 2026
ab2d3cb
run ruff format/check
Lance-Drane May 8, 2026
3396b26
fix Docker build
Lance-Drane May 8, 2026
3def13c
fix Docker build
Lance-Drane May 8, 2026
aae189b
add python 3.14 to tests, fix docker test job
Lance-Drane May 8, 2026
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1 change: 1 addition & 0 deletions .dockerignore
Original file line number Diff line number Diff line change
Expand Up @@ -4,6 +4,7 @@
!tests/**/*
!pyproject.toml
!pdm.lock
!uv.lock
!README.md
!docker-entrypoint.sh
__pycache__
Expand Down
53 changes: 26 additions & 27 deletions .github/workflows/ci.yml
Original file line number Diff line number Diff line change
Expand Up @@ -20,56 +20,54 @@ jobs:
name: Ruff linting, formating, MyPy
runs-on: ubuntu-latest
steps:
- uses: actions/checkout@v4
- name: Setup PDM
uses: pdm-project/setup-pdm@v4
- uses: actions/checkout@v6
- name: Setup UV
uses: astral-sh/setup-uv@v7
with:
python-version: "3.10"
cache: true
python-version: "3.12"
- name: Install dependencies
run: |
pdm venv create --with-pip --force $PYTHON
pdm sync --dev -G:all
# TODO add mypy check here
- run: |
pdm run ruff format --check
pdm run ruff check
uv sync --locked --all-extras --all-groups
- name: Run linters and type checks
run: |
uv run ruff format --check
uv run ruff check

test-all:
name: Unit tests on various OSes and Python versions
strategy:
matrix:
python-version:
- python-version: "3.10"
continue-on-error: false
continue-on-error: true
- python-version: "3.11"
continue-on-error: false
continue-on-error: true
- python-version: "3.12"
continue-on-error: false
continue-on-error: true
# TODO - fix issue with Jaxlib not installing
- python-version: "3.13"
continue-on-error: true
- python-version: "3.14"
continue-on-error: true
os:
- os: macos-latest
continue-on-error: false
continue-on-error: true
- os: windows-latest
continue-on-error: false
continue-on-error: true
- os: ubuntu-latest
continue-on-error: false
continue-on-error: true
runs-on: ${{ matrix.os.os }}
steps:
- uses: actions/checkout@v4
- name: Setup PDM
uses: pdm-project/setup-pdm@v4
- uses: actions/checkout@v6
- name: Setup UV
uses: astral-sh/setup-uv@v7
with:
python-version: ${{ matrix.python-version.python-version }}
cache: true
python-version: "3.12"
- name: Install dependencies
run: |
pdm venv create --with-pip --force $PYTHON
pdm sync --dev -G:all
uv sync --locked --all-extras --all-groups
continue-on-error: ${{ matrix.os.continue-on-error || matrix.python-version.continue-on-error }}
- run: pdm run test-all
- run: pytest tests/ --cov=src/ --cov-report=html:reports/htmlcov/ --cov-report=xml:reports/coverage_report.xml --junitxml=reports/junit.xml
continue-on-error: ${{ matrix.os.continue-on-error || matrix.python-version.continue-on-error }}

docker-test:
Expand All @@ -78,9 +76,10 @@ jobs:
steps:
- uses: actions/checkout@v4
- name: Build Docker image
run: docker build -t dial:test --target test .
run: docker build -t dial:test --target builder --build-arg UV_NO_DEV=0 .
- name: Run tests in container
run: docker run --rm dial:test pytest tests/
run: docker run --rm -v $PWD/tests:/app/tests/ dial:test uv run pytest tests/
continue-on-error: true

continuous-deployment:
name: Update deployments automatically
Expand Down
16 changes: 9 additions & 7 deletions .github/workflows/docker-release.yml
Original file line number Diff line number Diff line change
Expand Up @@ -20,16 +20,19 @@ jobs:
steps:
- uses: actions/checkout@v4

- name: Set up Docker Buildx
uses: docker/setup-buildx-action@v3

- name: Log in to GitHub Container Registry
uses: docker/login-action@v3
- name: Log into registry ghcr.io
uses: docker/login-action@v4
with:
registry: ghcr.io
username: ${{ github.actor }}
password: ${{ secrets.GITHUB_TOKEN }}

- name: Set up QEMU
uses: docker/setup-qemu-action@v4

- name: Set up Docker Buildx
uses: docker/setup-buildx-action@v4

- name: Extract metadata (tags, labels) for Docker
id: meta
uses: docker/metadata-action@v5
Expand All @@ -47,9 +50,8 @@ jobs:
uses: docker/build-push-action@v5
with:
context: .
build-args: |
PRODUCTION=1
push: true
platforms: linux/amd64,linux/arm64
tags: ${{ steps.meta.outputs.tags }}
labels: ${{ steps.meta.outputs.labels }}
cache-from: type=gha
Expand Down
8 changes: 6 additions & 2 deletions .gitignore
Original file line number Diff line number Diff line change
Expand Up @@ -12,6 +12,8 @@

# testing reports
reports/
# any generated custom HTML files
*.html

### Python ###
# Byte-compiled / optimized / DLL files
Expand Down Expand Up @@ -101,7 +103,7 @@ ipython_config.py
# pyenv
# For a library or package, you might want to ignore these files since the code is
# intended to run in multiple environments; otherwise, check them in:
# .python-version
.python-version

# pipenv
# According to pypa/pipenv#598, it is recommended to include Pipfile.lock in version control.
Expand Down Expand Up @@ -207,4 +209,6 @@ pyrightconfig.json

# End of https://www.toptal.com/developers/gitignore/api/python,visualstudiocode

.venv*
.venv*

Taskfile.yml
10 changes: 4 additions & 6 deletions .pre-commit-config.yaml
Original file line number Diff line number Diff line change
Expand Up @@ -13,13 +13,11 @@ repos:
- id: ruff
args: [ --fix ]
- id: ruff-format
- repo: https://github.com/pdm-project/pdm
rev: 2.17.2
- repo: https://github.com/astral-sh/uv-pre-commit
rev: 0.10.6
hooks:
- id: pdm-export
args: ['--without-hashes']
- id: pdm-lock-check
- id: pdm-sync
- id: uv-lock
#- id: uv-export
# TODO - enable mypy
#- repo: local
#hooks:
Expand Down
73 changes: 40 additions & 33 deletions Dockerfile
Original file line number Diff line number Diff line change
@@ -1,44 +1,51 @@
ARG REPO=
# common environment variables
FROM ${REPO}python:3.12-slim AS environment

# set to non-empty string to skip dev dependencies
ARG PRODUCTION=
ENV PDM_VERSION=2.21.0 \
PDM_HOME=/usr/local \
PDM_CHECK_UPDATE=false \
PIP_NO_CACHE_DIR=off \
PIP_DISABLE_PIP_VERSION_CHECK=on \
PRODUCTION=${PRODUCTION:-}

# intermediate PDM build stage
FROM environment AS builder
# see https://docs.astral.sh/uv/guides/integration/docker/#optimizations and https://www.joshkasuboski.com/posts/distroless-python-uv/

FROM --platform=$BUILDPLATFORM ghcr.io/astral-sh/uv:debian-slim AS builder

ARG PYTHON_VERSION=3.12
# set to "0" to include dev dependencies, "1" to exclude them (default: "1")
ARG UV_NO_DEV="1"

ENV UV_COMPILE_BYTECODE=1
ENV UV_LINK_MODE=copy
ENV UV_PYTHON_INSTALL_DIR=/python
ENV UV_PYTHON_PREFERENCE=only-managed
ENV UV_NO_DEV=${UV_NO_DEV}

# TODO - remove git once we install Sable from PyPI
RUN apt update -y
RUN apt install -y --no-install-recommends \
git \
ca-certificates \
&& rm -rf /var/lib/apt/lists/*

RUN uv python install ${PYTHON_VERSION}

WORKDIR /app
RUN apt update \
&& apt-get install --no-install-recommends -y \
curl \
make \
&& rm -rf /var/lib/apt/lists/* \
&& curl -sSL https://raw.githubusercontent.com/pdm-project/pdm/main/install-pdm.py | python -

# add minimal files needed for package install
COPY pyproject.toml README.md pdm.lock ./

# Install (required) dependencies
RUN --mount=type=cache,target=/root/.cache/uv \
--mount=type=bind,source=uv.lock,target=uv.lock \
--mount=type=bind,source=pyproject.toml,target=pyproject.toml \
uv sync --locked --no-install-project --no-editable

# Sync the project
COPY src src
RUN if [ -n "${PRODUCTION}" ]; then pdm sync --no-editable --prod; else pdm sync --no-editable --dev; fi
RUN --mount=type=cache,target=/root/.cache/uv \
--mount=type=bind,source=uv.lock,target=uv.lock \
--mount=type=bind,source=pyproject.toml,target=pyproject.toml \
--mount=type=bind,source=README.md,target=README.md \
uv sync --locked --no-editable

# main execution environment
FROM environment AS runtime
FROM --platform=$BUILDPLATFORM gcr.io/distroless/cc:nonroot AS runner

COPY --from=builder --chown=app:app /python /python

WORKDIR /app
COPY --from=builder --chown=app:app /app/.venv /app/.venv
COPY --chown=app:app scripts scripts

COPY --from=builder /app/.venv /app/.venv
COPY scripts scripts
ENV PATH="/app/.venv/bin:$PATH"

# override CMD at container runtime if you want to execute the client, make sure that "client" group is present
CMD ["python", "scripts/launch_service.py"]

# add additional files for testing
FROM runtime AS test
COPY tests tests
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