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Fix builds (from @ercius branch) #349

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5a4ba14
update docker builds to python 3.11
Sep 5, 2025
8f5c496
add python 3.7 and 3.8 and 3.14 to skip. Remove 3.13 from skip.
Sep 5, 2025
e53cbeb
remove if statement
Sep 5, 2025
0e67c09
change a file to trigger updating the base image
Sep 5, 2025
2c0297f
remove DEV from Docker base
Sep 5, 2025
b23edc6
Revert "remove DEV from Docker base"
Sep 5, 2025
518a30d
pin to bookworm
Sep 5, 2025
b051180
Merge pull request #346 from ercius/update_workflows
swelborn Sep 8, 2025
65d3f1d
add load so that other builds can see base
swelborn Sep 8, 2025
4f14855
update build action version
swelborn Sep 8, 2025
db06d9c
add image inspection
swelborn Sep 8, 2025
bf976bf
use docker driver
swelborn Sep 8, 2025
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4 changes: 3 additions & 1 deletion .github/actions/docker_setup/action.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -29,4 +29,6 @@ runs:
username: ${{ inputs.DOCKERHUB_USERNAME }}
password: ${{ inputs.DOCKERHUB_TOKEN }}
- name: Set up Docker Buildx
uses: docker/setup-buildx-action@v3
uses: docker/setup-buildx-action@v3
with:
driver: docker
2 changes: 1 addition & 1 deletion .github/workflows/build_wheels.yml
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Expand Up @@ -10,7 +10,7 @@ on:

env:
# Only support 64-bit CPython > 3.6
CIBW_SKIP: "cp36-* pp* *-manylinux_i686 *-musllinux_* *-win32 cp313-*"
CIBW_SKIP: "cp36-* cp37-* cp38-* pp* *-manylinux_i686 *-musllinux_* *-win32 cp314-*"

# This has some of the software we need pre-installed on it
CIBW_MANYLINUX_X86_64_IMAGE: openchemistry/stempy_wheel_builder_x86_64
Expand Down
17 changes: 9 additions & 8 deletions .github/workflows/docker.yml
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Expand Up @@ -15,7 +15,7 @@ jobs:
strategy:
fail-fast: false
matrix:
python-version: ['3.9']
python-version: ['3.11']
mpi: ['ON', 'OFF']
ipykernel: ['', 'ipykernel']
dev: ['', 'dev']
Expand Down Expand Up @@ -103,8 +103,8 @@ jobs:
echo "LATEST_TAG=${LATEST_TAG}" >> $GITHUB_ENV

- name: Build/push Dockerfile.base
uses: docker/build-push-action@v3
if: ${{ contains(github.event.head_commit.message, 'trigger-ci') || steps.changed-dockerfile-base.outputs.any_changed == 'true'}}
uses: docker/build-push-action@v6
# if: ${{ contains(github.event.head_commit.message, 'trigger-ci') || steps.changed-dockerfile-base.outputs.any_changed == 'true'}}
with:
context: .
file: ./docker/Dockerfile.base
Expand All @@ -114,11 +114,14 @@ jobs:
DEV=${{ matrix.dev }}
tags: ${{ env.BASE_TAG }}
target: ${{ env.BASE_TARGET }}
cache-to: type=gha, mode=max
cache-from: type=gha, mode=max
load: ${{ github.event_name == 'pull_request' }}

- name: Inspect
run: |
docker image inspect ${{ env.BASE_TAG }}

- name: Build/push Dockerfile.stempy
uses: docker/build-push-action@v3
uses: docker/build-push-action@v6
with:
context: .
file: ./docker/Dockerfile.stempy
Expand All @@ -133,5 +136,3 @@ jobs:
${{ env.TAG }}
${{ env.LATEST_TAG }}
target: build
cache-to: type=gha, mode=max
cache-from: type=gha, mode=max
3 changes: 2 additions & 1 deletion docker/Dockerfile.base
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@@ -1,7 +1,8 @@
# update to use python 3.11
ARG PYTHON_VERSION
FROM python:${PYTHON_VERSION} as base
FROM python:${PYTHON_VERSION}-bookworm as base

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GitHub Actions / build-stempy (3.11, OFF, ipykernel, dev)

The 'as' keyword should match the case of the 'from' keyword 

FromAsCasing: 'as' and 'FROM' keywords' casing do not match
More info: https://docs.docker.com/go/dockerfile/rule/from-as-casing/

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GitHub Actions / build-stempy (3.11, OFF, ipykernel, dev)

Default value for global ARG results in an empty or invalid base image name 

InvalidDefaultArgInFrom: Default value for ARG python:${PYTHON_VERSION}-bookworm results in empty or invalid base image name
More info: https://docs.docker.com/go/dockerfile/rule/invalid-default-arg-in-from/

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GitHub Actions / build-stempy (3.11, OFF, dev)

The 'as' keyword should match the case of the 'from' keyword 

FromAsCasing: 'as' and 'FROM' keywords' casing do not match
More info: https://docs.docker.com/go/dockerfile/rule/from-as-casing/

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GitHub Actions / build-stempy (3.11, OFF, dev)

Default value for global ARG results in an empty or invalid base image name 

InvalidDefaultArgInFrom: Default value for ARG python:${PYTHON_VERSION}-bookworm results in empty or invalid base image name
More info: https://docs.docker.com/go/dockerfile/rule/invalid-default-arg-in-from/

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GitHub Actions / build-stempy (3.11, ON, dev)

Default value for global ARG results in an empty or invalid base image name 

InvalidDefaultArgInFrom: Default value for ARG python:${PYTHON_VERSION}-bookworm results in empty or invalid base image name
More info: https://docs.docker.com/go/dockerfile/rule/invalid-default-arg-in-from/

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GitHub Actions / build-stempy (3.11, ON, dev)

The 'as' keyword should match the case of the 'from' keyword 

FromAsCasing: 'as' and 'FROM' keywords' casing do not match
More info: https://docs.docker.com/go/dockerfile/rule/from-as-casing/

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GitHub Actions / build-stempy (3.11, OFF, ipykernel)

The 'as' keyword should match the case of the 'from' keyword 

FromAsCasing: 'as' and 'FROM' keywords' casing do not match
More info: https://docs.docker.com/go/dockerfile/rule/from-as-casing/

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GitHub Actions / build-stempy (3.11, OFF, ipykernel)

Default value for global ARG results in an empty or invalid base image name 

InvalidDefaultArgInFrom: Default value for ARG python:${PYTHON_VERSION}-bookworm results in empty or invalid base image name
More info: https://docs.docker.com/go/dockerfile/rule/invalid-default-arg-in-from/

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GitHub Actions / build-stempy (3.11, ON)

Default value for global ARG results in an empty or invalid base image name 

InvalidDefaultArgInFrom: Default value for ARG python:${PYTHON_VERSION}-bookworm results in empty or invalid base image name
More info: https://docs.docker.com/go/dockerfile/rule/invalid-default-arg-in-from/

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GitHub Actions / build-stempy (3.11, ON)

The 'as' keyword should match the case of the 'from' keyword 

FromAsCasing: 'as' and 'FROM' keywords' casing do not match
More info: https://docs.docker.com/go/dockerfile/rule/from-as-casing/

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GitHub Actions / build-stempy (3.11, OFF)

Default value for global ARG results in an empty or invalid base image name 

InvalidDefaultArgInFrom: Default value for ARG python:${PYTHON_VERSION}-bookworm results in empty or invalid base image name
More info: https://docs.docker.com/go/dockerfile/rule/invalid-default-arg-in-from/

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More info: https://docs.docker.com/go/dockerfile/rule/from-as-casing/

ENV DEBIAN_FRONTEND noninteractive

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Legacy key/value format with whitespace separator should not be used 

LegacyKeyValueFormat: "ENV key=value" should be used instead of legacy "ENV key value" format
More info: https://docs.docker.com/go/dockerfile/rule/legacy-key-value-format/

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Legacy key/value format with whitespace separator should not be used 

LegacyKeyValueFormat: "ENV key=value" should be used instead of legacy "ENV key value" format
More info: https://docs.docker.com/go/dockerfile/rule/legacy-key-value-format/

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Legacy key/value format with whitespace separator should not be used 

LegacyKeyValueFormat: "ENV key=value" should be used instead of legacy "ENV key value" format
More info: https://docs.docker.com/go/dockerfile/rule/legacy-key-value-format/

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Legacy key/value format with whitespace separator should not be used 

LegacyKeyValueFormat: "ENV key=value" should be used instead of legacy "ENV key value" format
More info: https://docs.docker.com/go/dockerfile/rule/legacy-key-value-format/

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Legacy key/value format with whitespace separator should not be used 

LegacyKeyValueFormat: "ENV key=value" should be used instead of legacy "ENV key value" format
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Legacy key/value format with whitespace separator should not be used 

LegacyKeyValueFormat: "ENV key=value" should be used instead of legacy "ENV key value" format
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WORKDIR /build

# Install common packages
Expand All @@ -23,7 +24,7 @@
apt-get clean all && \
rm -rf /var/lib/apt/lists/*

FROM base as mpi

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The 'as' keyword should match the case of the 'from' keyword 

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More info: https://docs.docker.com/go/dockerfile/rule/from-as-casing/

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The 'as' keyword should match the case of the 'from' keyword 

FromAsCasing: 'as' and 'FROM' keywords' casing do not match
More info: https://docs.docker.com/go/dockerfile/rule/from-as-casing/

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The 'as' keyword should match the case of the 'from' keyword 

FromAsCasing: 'as' and 'FROM' keywords' casing do not match
More info: https://docs.docker.com/go/dockerfile/rule/from-as-casing/

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GitHub Actions / build-stempy (3.11, OFF, ipykernel)

The 'as' keyword should match the case of the 'from' keyword 

FromAsCasing: 'as' and 'FROM' keywords' casing do not match
More info: https://docs.docker.com/go/dockerfile/rule/from-as-casing/

Check warning on line 27 in docker/Dockerfile.base

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GitHub Actions / build-stempy (3.11, ON)

The 'as' keyword should match the case of the 'from' keyword 

FromAsCasing: 'as' and 'FROM' keywords' casing do not match
More info: https://docs.docker.com/go/dockerfile/rule/from-as-casing/

Check warning on line 27 in docker/Dockerfile.base

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GitHub Actions / build-stempy (3.11, OFF)

The 'as' keyword should match the case of the 'from' keyword 

FromAsCasing: 'as' and 'FROM' keywords' casing do not match
More info: https://docs.docker.com/go/dockerfile/rule/from-as-casing/

# Build mpich
ARG mpich=4.0.2
Expand Down
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