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Jnmpi lammps nodes patch 0.1.0 #91

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merged 95 commits into from
Nov 28, 2023

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liamhuber
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Almost no changes were needed to get the lammps nodes branch compliant with 0.1.0, just a couple of parameter changes from int to float to get values compliant with a type hint.

liamhuber and others added 30 commits November 3, 2023 14:46
We do type checking when assigning to value now, so no need for a special method
Forget the "computational efficiency", just always type check. _But_ we should make it easier to disable _all_ type checking once users have a workflow they're totally satisfied with and want to run it in production.
Bumps [matplotlib](https://github.com/matplotlib/matplotlib) from 3.8.0 to 3.8.1.
- [Release notes](https://github.com/matplotlib/matplotlib/releases)
- [Commits](matplotlib/matplotlib@v3.8.0...v3.8.1)

---
updated-dependencies:
- dependency-name: matplotlib
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <[email protected]>
Including introducing new testing classes to directly test for promises made on the base class. In general, I want to head this direction in this PR: be as explicit as possible about the promises the classes make, and then test each of the promises as directly as possible.
Including testing each of the run boolean flags
Being running stops us from being ready, so we don't get all the way to the runtime error but stop at the readiness check
And move a bit more into the abstract node tests
liamhuber and others added 22 commits November 19, 2023 12:47
Nodes for the `atomistics` package
Bumps [matplotlib](https://github.com/matplotlib/matplotlib) from 3.8.1 to 3.8.2.
- [Release notes](https://github.com/matplotlib/matplotlib/releases)
- [Commits](matplotlib/matplotlib@v3.8.1...v3.8.2)

---
updated-dependencies:
- dependency-name: matplotlib
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <[email protected]>
Bumps [pyiron-base](https://github.com/pyiron/pyiron_base) from 0.6.8 to 0.6.9.
- [Release notes](https://github.com/pyiron/pyiron_base/releases)
- [Changelog](https://github.com/pyiron/pyiron_base/blob/main/CHANGELOG.md)
- [Commits](pyiron/pyiron_base@pyiron_base-0.6.8...pyiron_base-0.6.9)

---
updated-dependencies:
- dependency-name: pyiron-base
  dependency-type: direct:production
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <[email protected]>
Bumps [pyiron-atomistics](https://github.com/pyiron/pyiron_atomistics) from 0.3.5 to 0.3.7.
- [Release notes](https://github.com/pyiron/pyiron_atomistics/releases)
- [Changelog](https://github.com/pyiron/pyiron_atomistics/blob/main/CHANGELOG.md)
- [Commits](pyiron/pyiron_atomistics@pyiron_atomistics-0.3.5...pyiron_atomistics-0.3.7)

---
updated-dependencies:
- dependency-name: pyiron-atomistics
  dependency-type: direct:development
  update-type: version-update:semver-patch
...

Signed-off-by: dependabot[bot] <[email protected]>
….3.7

Bump pyiron-atomistics from 0.3.5 to 0.3.7
Handle actions itself in the dependabot updates
# Conflicts:
#	.binder/environment.yml
#	notebooks/deepdive.ipynb
And rerun notebook
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Binder 👈 Launch a binder notebook on branch pyiron/pyiron_workflow/JNmpi_lammps_nodes_patch_0.1.0

@liamhuber
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Change for this were super minor, just making ints into floats to comply with type hinting, so I'm going to merge without review

@liamhuber liamhuber merged commit 9ff5e5c into JNmpi_lammps_nodes Nov 28, 2023
11 of 13 checks passed
@liamhuber liamhuber deleted the JNmpi_lammps_nodes_patch_0.1.0 branch November 28, 2023 05:49
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4 participants