azulene-opal 0.3.0

A CLI and Python library to interact with Azulene Opal

opal-cli

How to download OPAL CLI

pip install azulene-opal

CLI Commands (macOS, Linux, Windows)

# Auth
python -m opal.main login --email [e-mail] --password pass123
python -m opal.main whoami
python -m opal.main logout

# Jobs
python -m opal.main jobs submit --job-type xtb_calculation --input-data '{"numbers":[1,1], "positions":[[0,0,0],[0.74,0,0]]}'
python -m opal.main jobs cancel --job-id abc123
python -m opal.main jobs get --job-id abc123
python -m opal.main jobs get-jobs
python -m opal.main jobs check-running-jobs
python -m opal.main jobs get-job-types
python -m opal.main jobs check-health

Help Commands

python -m opal.main --help

python -m opal.main jobs --help

python -m opal.main jobs submit --help

Auth Commands

# Log in
python -m opal.main login --email [e-mail] --password yourpassword

# Who am I (get current user info)
python -m opal.main whoami

# Log out
python -m opal.main logout

---

Job Commands

# Submit a job (CMD)
python -m opal.main jobs submit --job-type generate_conformers --input-data "{\"smiles\": \"CCO\", \"num_conformers\": 5}"

# Submit a job (Git Bash / WSL / Linux / macOS)
python -m opal.main jobs submit --job-type generate_conformers --input-data '{"smiles": "CCO", "num_conformers": 5}'

# Submit a job (Powershell)
python -m opal.main jobs submit --job-type generate_conformers --input-data '{\"smiles\": \"CCO\", \"num_conformers\": 5}'

# List all jobs
python -m opal.main jobs get-jobs

# Get a specific job by ID
python -m opal.main jobs get --job-id YOUR_JOB_ID

# Cancel a job by ID
python -m opal.main jobs cancel --job-id YOUR_JOB_ID

# Poll modal for job status/results
python -m opal.main jobs check-running-jobs

# Health check
python -m opal.main jobs check-health

# Get available job types 
python -m opal.main jobs get-job-types

---

Examples of Using the Library in Python

from opal import auth, jobs

# 1. Log in
auth.login(email="[e-mail]", password="pass123")

# 2. Who am I
print(auth.whoami())

# 3. Submit a job
jobs.submit(job_type="generate_conformers",input_data={"smiles": "CCO", "num_conformers": 5}) # dict
# jobs.submit(job_type="generate_conformers",input_data='{"smiles": "CCO", "num_conformers": 5}') # str

# 4. List all jobs
print(jobs.get_jobs())

# 5. Get a specific job
print(jobs.get(job_id="YOUR_JOB_ID"))

# 6. Cancel a job
print(jobs.cancel(job_id="YOUR_JOB_ID"))

# 7. Poll job statuses
jobs.poll()

# 8. Health check
print(jobs.check_health())

# 9. Get job types
print(jobs.get_job_types())

# 10. Log out
auth.logout()

Tips

• Wrap JSON input in single quotes ('{"key": "value"}') and escape double quotes on Windows if needed.
• Replace YOUR_JOB_ID with actual returned IDs from list-all or submit.

---

All Rights Reserved