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This issue aims to improve the reliability and maintainability of the build_npm role by integrating Molecule for testing. Molecule provides a framework for creating and running automated tests for Ans…
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I have stumbled over various issues when performing a UHF stability analysis while using the psiapi, i.e., using psi4 as a python module.
I am happy to provide examples of how to reproduce this iss…
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If interested I created a [molecule-kind](https://github.com/retr0h/molecule-kind) driver for your k8s roles/playbooks.
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I have an [optimization](https://github.com/openforcefield/qca-dataset-submission/tree/master/submissions/2024-09-11-OpenFF-Sulfur-Optimization-Training-Coverage-Supplement-v1.0) dataset, and a corres…
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Hi,
there is some way to debug what is happening when `molecule test` command is executed with this driver?
I'm using a simple configuration:
```yaml
driver:
name: molecule-proxmox
options…
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When running Psi4 1.9.1, the following structure causes Psi4 to crash, but shifting it a little bit makes things work fine.
```
molecule {
C 0.0000000182 -0.0000000013 0.0000000175
…
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Molecule issues the following warning when the 'amolecule-proxmox' driver is loaded:
WARNING Driver molecule-proxmox does not provide a schema.
A driver supplied schema is needed to quiet this …
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Building on #266, I would love the same.
Finding /molecule-plugins/test/ec2/scenarios/driver/ec2/molecule/default/molecule.yml I'm like woot, woot, until I realize the ../../../../../resources/play…
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### Prerequisites
- [X] This was not already reported in the past (duplicate check)
- [X] It does reproduce it with code from main branch (latest unreleased version)
- [X] I include a minimal example…
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### Prerequisites
- [X] This was not already reported in the past (duplicate check)
- [X] It does reproduce it with code from main branch (latest unreleased version)
- [X] I include a minimal exa…