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Bump aiida-core to v2.4.0 and aiidalab to v23.3.2 #396

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merged 10 commits into from
Nov 10, 2023
Merged

Bump aiida-core to v2.4.0 and aiidalab to v23.3.2 #396

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350d307
Bump aiida-core to v2.4.0
unkcpz Jul 10, 2023
1f77286
Merge branch 'main' into bump/aiida-core-2.4.0
unkcpz Oct 16, 2023
dafe020
Merge branch 'main' into bump/aiida-core-2.4.0
danielhollas Oct 18, 2023
eba3da2
test push testing failed image to ghcr
unkcpz Oct 21, 2023
08a0d7d
lower bound of aiida-core
unkcpz Oct 22, 2023
75045b5
Revert CI docker for test changes
unkcpz Oct 22, 2023
2518fc0
f-da
unkcpz Oct 23, 2023
5ff2408
bump pip to latest v23.3.1
unkcpz Oct 23, 2023
9d30415
bump aiidalab to v23.3.2
unkcpz Oct 23, 2023
a2fd2c3
Merge branch 'main' into bump/aiida-core-2.4.0
unkcpz Oct 23, 2023
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2 changes: 2 additions & 0 deletions .github/workflows/docker-build-test-upload.yml
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Original file line number Diff line number Diff line change
Expand Up @@ -60,10 +60,12 @@ jobs:
mkdir -p /tmp/aiidalab/
docker save ${{ env.OWNER }}/${{ inputs.image }} -o /tmp/aiidalab/${{ inputs.image }}-${{ inputs.architecture }}.tar
shell: bash
if: always()

- name: Upload image as artifact 💾
uses: actions/upload-artifact@v3
with:
name: ${{ inputs.image }}-${{ inputs.architecture }}
path: /tmp/aiidalab/${{ inputs.image }}-${{ inputs.architecture }}.tar
retention-days: 3
if: always()
3 changes: 3 additions & 0 deletions .github/workflows/docker.yml
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Expand Up @@ -122,6 +122,7 @@ jobs:
needs: [arm64-base-with-services, arm64-lab]

amd64-push-ghcr:
if: always()
uses: ./.github/workflows/docker-push.yml
strategy:
matrix:
Expand All @@ -136,6 +137,7 @@ jobs:
needs: [amd64-base, amd64-base-with-services, amd64-lab, amd64-full-stack]

arm64-push-ghcr:
if: always()
uses: ./.github/workflows/docker-push.yml
strategy:
matrix:
Expand All @@ -150,6 +152,7 @@ jobs:
needs: [arm64-base, arm64-base-with-services, arm64-lab, arm64-full-stack]

merge-tags-ghcr:
if: always()
uses: ./.github/workflows/docker-merge-tags.yml
strategy:
matrix:
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2 changes: 1 addition & 1 deletion build.json
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Expand Up @@ -7,7 +7,7 @@
"default": "15"
},
"AIIDA_VERSION": {
"default": "2.3.1"
"default": "2.4.0"
},
"AIIDALAB_VERSION": {
"default": "23.03.0"
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13 changes: 7 additions & 6 deletions stack/base/Dockerfile
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Expand Up @@ -16,20 +16,21 @@ WORKDIR /opt/

ARG AIIDA_VERSION

# Pin shared requirements in the base environemnt.
# The lower bound of aiida-core is set to the version of aiida-core to prevent
# lower aiida-core DB version installed and trigger database downgrade.
RUN echo "pip==23.0.1" > /opt/requirements.txt && \
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echo "aiida-core>=${AIIDA_VERSION},<3" >> /opt/requirements.txt

# Install the shared requirements.
COPY requirements.txt .
RUN mamba install --yes \
aiida-core=${AIIDA_VERSION} \
mamba-bash-completion \
--file requirements.txt \
--file /opt/requirements.txt \
&& mamba clean --all -f -y && \
fix-permissions "${CONDA_DIR}" && \
fix-permissions "/home/${NB_USER}"


# Pin shared requirements in the base environemnt.
RUN cat requirements.txt | xargs -I{} conda config --system --add pinned_packages {}
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# Configure pip to use requirements file as constraints file.
ENV PIP_CONSTRAINT=/opt/requirements.txt

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2 changes: 0 additions & 2 deletions stack/base/requirements.txt
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2 changes: 1 addition & 1 deletion tests/test-full-stack.py
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Expand Up @@ -5,7 +5,7 @@
def generate_aiidalab_install_output(aiidalab_exec, nb_user):
def _generate_aiidalab_install_output(package_name):
output = (
aiidalab_exec(f"aiidalab install --yes {package_name}", user=nb_user)
aiidalab_exec(f"aiidalab install --yes --pre {package_name}", user=nb_user)
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Not sure if this is needed, since we're also installing directly from the branch in test_install_apps_from_default_branch. But I guess it is fine.

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Much appreciate for writing the detailed test flow, I'll test on QeApp with @superstar54 who has quite many containers with lots of calculations.

Per --pre options I added, it is for QeApp specifically since we didn't make the release v23.10.0 yet but the prerelease version. The stable version is still v23.04.6 which pinning to aiida-core~=2.3.0 will try to downgrade aiida-core and fail the test (exactly what we improved in this PR).

I personally think here it is better to not use --pre but only test the stable version. I will keep this PR until we make the release of v23.10.0 which the planned date is 6th November.

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@unkcpz @superstar54 friendly ping, would be good to test and merge so that others can test this via the edge image.

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Tested, all good. The migration is run and calculations can be reloaded with showing the same result properly.

.decode()
.strip()
)
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