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Switch Apptainer base to miniforge3 + mamba solver#26

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NCCU-Schultz-Lab merged 1 commit into
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apptainer-build-update
Jul 22, 2026
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Switch Apptainer base to miniforge3 + mamba solver#26
NCCU-Schultz-Lab merged 1 commit into
mainfrom
apptainer-build-update

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Replace continuumio/miniconda3 with condaforge/miniforge3 and use mamba instead of conda for dependency resolution. The classic solver was hanging for hours on the PySCF + RDKit + JupyterLab spec; mamba resolves in minutes. Also enforces conda-forge-only with strict channel priority to avoid mixing in the defaults channel.

Replace continuumio/miniconda3 with condaforge/miniforge3 and use mamba instead of conda for dependency resolution. The classic solver was hanging for hours on the PySCF + RDKit + JupyterLab spec; mamba resolves in minutes. Also enforces conda-forge-only with strict channel priority to avoid mixing in the defaults channel.
@NCCU-Schultz-Lab
NCCU-Schultz-Lab merged commit dc4456c into main Jul 22, 2026
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NCCU-Schultz-Lab deleted the apptainer-build-update branch July 22, 2026 13:49
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