-
* JobServer version: 2021.6.x
* Python version: 3.9
* Operating System: MacOS
### Description
When there is an error in a flowchart, the exception and traceback are printed to the terminal run…
seamm updated
9 months ago
-
* MolSSI Workflow version: 2021.8.3.3
* Python version: 3.9.6
* Operating System: Linux Ubuntu 18.04 LTS
### Description
Each core package installed by **seamm-installer** should have a `--ver…
-
The installation instructions seem to be missing a step.
It goes from `conda` installation to 'Get the seamm.yml file from the `conda_environments` subfolder. To someone who does not know what repo…
-
https://github.com/molssi-seamm/seamm_util/blob/0b490c6b09e29ea0e4f006aac669bb9d46aef993/seamm_util/zenodo.py#L653
which should be
`logger.debug(f"{n_hits}=")`
-
* MolSSI Workflow version:
* Python version:
* Operating System:
### Description
Starting the JobServer, SEAMM errors because OpenBabel is not installed.
### What I Did
```
Please insta…
-
I noticed that in our directions the instructions (https://molssi-seamm.github.io/seamm/installation.html) for installing rdkit give this command:
`conda create -c rdkit -n python=3.6.1 rdkit`
…
-
* LAMMPS step version: 2021.6.3
* Python version: 3.9
* Operating System: MacOS
### Description
LAMMPS crashes when running molecules because the box limited are incorrect, so LAMMPS loses ato…