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Notes

General updates

  • MT –

    • Anything I need to prepare for annual meeting?

      • JW – Basically no - We may ask you for details on our slides or something but we won’t be asking you to synthesize a whole slide deck or anything.

  • JW –

    • Following up on travel booking - All good?

      • MT – Yup, I’ve got plane tickets and everything. Staying until the next Thursday.

    • I will be offline Friday

      • (Cancelled MT check in and OMM check in)

    • Thoughts on Openeye/QCPortal zstandard/zstd issue? (Should I email OpenEye or am I missing a more likely root cause?)

      • MT – Not clearly OE’s fault. I think they’re building against an old version of zstd that’s not ABI-compatible with new versions. Two possible solutions:

        • Import qcportal before openeye other

        • Downpin zstandard to whatever openeye uses

        • OE makes new packages using newest version of zstandard.

      • MT – An important detail is

      this not clearly their fault?)
      • that zstandard has releases every few months and generally things are low-level compatible.

      • JW – Since the colab notebook this morning installs openeye but doesn’t have a license..

      • (much debugging)

      • Github link macro
        linkhttps://github.com/conda-forge/qcfractal-feedstock/issues/43

      • Github link macro
        linkhttps://github.com/conda-forge/zstandard-feedstock/issues/52

    • Potential actions:

      • Pin toolkit-base in our ecosystem to zstandard 0.18 until the OE package is rebuilt

      • Contact OE with MRE

      • Post in internal thread about zstandard problems saying that installing zstandard 0.18 is likely a general solution until OE rebuilds their stack.

      • Submit patch to QCPortal to lazy-import zstandard.

Trello

https://trello.com/b/dzvFZnv4/infrastructure (Skipped today so we could go to fitting meeting)

Tutorial collection

MT – I’ve started work on collecting these. In the coming week I’ll try running a few.

Action items

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Decisions