Maximilian Scheurer

Results 88 comments of Maximilian Scheurer

I had some problems yesterday but everything is running smoothly now I guess: https://github.com/conda-forge/staged-recipes/pull/17477

BTW I can add you as package maintainer if you want 😬

The sha256sum (older version) on c-f VM does not support the `--ignore-missing` option. Maybe you have a suggestion how one could patch the script instead? 😬

I'm keeping track of the next steps here (in order): - [x] merge #141 - [x] remove own conda pipeline & add conda-based build to CI (such that we don't...

We should probably somehow discontinue the `adcc` channel on anaconda.org. I don't know if we should leave it up there for some "grace period"? Opinions, @mfherbst and @loriab (if you...

That's a good suggestion! Can do the manual build for `0.15.11` and upload it to the adcc channel. I would say we remove our own channel once 0.16.0 comes out.

Yes, PCM (#132) and gradients (#124) should be in `0.16.0`.

@mfherbst if you find the time, could you push the `v0.15.13` docs to the website?

What's the best way to run the examples btw? We somehow need to select the files according to available host programs, etc., and I don't have a clean way to...

Psi4 is not easy to install outside the conda env, and even there, it can become difficult, as @loriab and I discovered last week due to mixture of c-f and...