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Add .dockerignore
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.dockerignore

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**/*.egg-info
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**/*.pyc
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**/*.tar.gz
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*.code-workspace
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**/.*.ipynb
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**/.ipynb*
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.venv/
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build/
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export/
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.do-not-setup-on-localhost
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# Sphinx documentation
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docs/html
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screenshots/

Dockerfile

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@@ -27,7 +27,7 @@ WORKDIR "${QE_APP_FOLDER}"
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ENV UV_CONSTRAINT=${PIP_CONSTRAINT}
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RUN --mount=from=uv,source=/uv,target=/bin/uv \
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uv pip install --system --no-cache . && \
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rm -rf build/
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rm -rf build/ src/aiidalab_qe.egg-info/
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# 4. Prepare AiiDA profile and localhost computer
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# 5. Install the QE pseudopotentials and codes

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