2024-04-24 Thompson/Wagner Check-in meeting 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 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)

  • 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.