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Install xtb and OpenMPI during app installation #221

Merged
merged 5 commits into from
Oct 9, 2023
Merged

Install xtb and OpenMPI during app installation #221

merged 5 commits into from
Oct 9, 2023

Commits on Sep 27, 2023

  1. Add xtb to pypi dependencies, constrain traitlets and ipywidgets

    @danielhollas
    danielhollas committed Sep 27, 2023
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  2. Install OpenMPI to its own conda environment

    @danielhollas
    danielhollas committed Sep 27, 2023
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  3. Use mamba, add path to mpirun to PATH

    @danielhollas
    danielhollas committed Sep 27, 2023
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  4. Fix post_install

    @danielhollas
    danielhollas authored Sep 27, 2023
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Commits on Oct 4, 2023

  1. Do not install OpenMPI if we already have it!

    @danielhollas
    danielhollas committed Oct 4, 2023
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