semvec/pypi-packages huggingface dataset:
jobsubmitG16 1.0.1
A python program for bulk job submission in NDSU CCAST Prime HPC cluster
Requires Python: >=3.0
Keywords: gaussian, compchem, ccast, ndsu

# jobsubmitG16
This Python program can edit Gaussian input files, generate PBS scripts, and submit jobs to NDSU CCAST Prime HPC.
It can be used for other HPCs by change default PBS environmental variables

### Installation  
`pip install jobsubmitG16`

## Running jobsubmitG16 
```
python -m jobsubmitG16 [-options] [values] 
some options are mutually exclusive
```

* `-com` raw input files are in in g16 format with com extension 
* `-gjf` raw input files are in in g16 format with gjf extension
* `-xyz` raw input files are in in xyz format with xyz extension
* `-keyincom` Read Gaussian option keys from com/gjf files. Not applicable for xyz files 
* `-formatcom` Format com/gjf files if True, else False 
* `-nopbs` No pbs file if True 
* `-nojobsub` Jobs will be prepared but won't be submitted if True 

###Resource setup 
* `--queue` Queue name, type: `str`, default `default`  
* `--group` Research group ID in Prime, type: `str`, default `kilina`  
* `--core` Number of Core to request, type: `int`, default `1`  
* `--mem` Memory in GB to use, type: `int`, default `10gb`
* `--ncpus` Number of CPUs to request, type: `int`, default `16`
* `--hours` Time request, Hours. type: `int`, default: `23`
* `--mints` Time request, Minutes, type: `int`, default `00`
* `--seconds` Time request, seconds, type: `int`, default `00` 

###Gaussian options
* `--functional` Functional name, default `pbe1pbe`
* `--solvent` Solvent name, default `no solvent`
* `--basis` Basis name for ligher elements, default `6-31g*`
* `--basis_tran` Basis name for transition metals, default `Lanl2dz`
* `--nscf` Number of max SCF cycles, default `129`

### About the model 
* `--charge` Charge of the model, if not read from com file. No default
* `--multiplicity` multiplicity of the model if not read from com file. No default
* `--other` All other keys not listed, input as full string. No default

---
##### Pipeline features:
* adding options to check errors after optimization calculation 
* Continue job for TDDFT calculation if optimization terminate normal
---

#### License: 
jobsubmitG16 is freely available under an [MIT](https://opensource.org/licenses/MIT) License
event-subscriber 0.1.5
A tool to subscribe and handle Ethereum events
Requires Python: >=3.6

# Event Subscriber

A tool to subscribe and handle Ethereum events.

## Installation

```bash
pip install event_subscriber

Usage
The event_subscriber command can be used to start the event listener. Here is a step-by-step guide on how to use the tool:

Enter contract address: Provide the Ethereum contract address you want to monitor.

Example
event_subscriber

Follow the prompts to provide the necessary information:
Enter contract address: //Contract address
Enter path to contract ABI file: abi.json
Enter connection URL for Ethereum node (e.g. http://127.0.0.1:8545, default is Ganache http://127.0.0.1:8545: //Make sure you are connecting to a live node or test node like ganache
Enter polling interval in seconds: 2
Enter starting block number for event filter (default is 'latest'): 
Enter ending block number for event filter (default is 'latest'): 
Enter event name to filter for (or leave empty to finish): Withdraw //Examole
Enter event name to filter for (or leave empty to finish): Deposit  //Examole
Enter event name to filter for (or leave empty to finish): 

The tool will then start monitoring the specified events and provide real-time updates in the console.

Optional: Simulate a transaction: If you want to simulate a transaction for testing purposes, you can use the --simulate flag.
event_subscriber --simulate


Use Cases
On-chain monitoring: Keep track of specific events occurring in a smart contract deployed on the Ethereum blockchain.
Development and testing: Use a local Ethereum node like Ganache to test and develop smart contracts by simulating events and transactions.
Purple teaming: Utilize the tool to monitor and analyze potential security threats and attacks on smart contracts in real-time.
Real-time event tracking: Get real-time information about events happening in the contract, such as large withdrawals or deposits.
Incident response: Quickly identify and respond to suspicious activities or anomalies in the contract behavior.


Troubleshooting
If you encounter issues, ensure that:

The Ethereum node URL is correct and accessible.
The contract address and ABI file path are correct.
The polling interval is set to a reasonable value to avoid rate limiting.
For more detailed logs, check the event.log file generated in the working directory.