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JaGeo committed Dec 24, 2024
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# Sphinx build info version 1
# This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
config: 62b83655bad0928a467b6a23a1fca59e
tags: 645f666f9bcd5a90fca523b33c5a78b7
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name: test_project
base_dir: /home/username/.jfremote/test_project
tmp_dir: /home/username/.jfremote/test_project/tmp
log_dir: /home/username/.jfremote/test_project/log
daemon_dir: /home/username/.jfremote/test_project/daemon
log_level: debug
runner:
delay_checkout: 30
delay_check_run_status: 30
delay_advance_status: 30
delay_refresh_limited: 600
delay_update_batch: 60
lock_timeout: 86400
delete_tmp_folder: true
max_step_attempts: 3
delta_retry:
- 30
- 300
- 1200
workers:
example_worker:
type: remote
scheduler_type: slurm
work_dir: /path/to/your/scratch/dir
resources:
pre_run: |
source activate autoplex
post_run:
timeout_execute: 120
max_jobs: 10
batch:
host: remote cluster
user: username
port:
password:
key_filename:
passphrase:
gateway:
forward_agent:
connect_timeout:
connect_kwargs:
inline_ssh_env:
keepalive: 60
shell_cmd: bash
login_shell: true
interactive_login: true
queue:
store:
type: MongoStore
host: local machine
database: db name
username: user name
password: password
collection_name: jobs
flows_collection: flows
auxiliary_collection: jf_auxiliary
db_id_prefix:
exec_config: {}
jobstore:
docs_store:
type: MongoStore
database: db name
host: local machine
port: 27017
username: user name
password: password
collection_name: outputs
additional_stores:
data:
type: GridFSStore
database: db name
host: local machine
port: 27017
username: user name
password: password
collection_name: outputs_blobs
metadata:
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```{include} ../../CHANGELOG.md
```
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```{include} ../../CONTRIBUTING.md
```
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# Contributors

`autoplex` is a joint development between two research groups at the Federal Institute for Materials Research and Testing (BAM) Berlin and the University of Oxford. It incorporates scientific and practical know-how developed in both groups and described in our publications (link).

[gh]: https://cdnjs.cloudflare.com/ajax/libs/octicons/8.5.0/svg/mark-github.svg
[orc]: ../_static/orcid.svg

## Project lead (Berlin)

**Prof. Janine George** [![gh]][JaGeo] [![orc]][0000-0001-8907-0336] [[website](https://jageo.github.io/)]\
BAM Berlin \
Friedrich Schiller University Jena

[JaGeo]: https://github.com/JaGeo
[0000-0001-8907-0336]: https://orcid.org/0000-0001-8907-0336

## Project lead (Oxford)

**Prof. Volker Deringer** [![gh]][vlderinger] [![orc]][0000-0001-6873-0278] [[website](http://deringer.chem.ox.ac.uk)]\
University of Oxford

[vlderinger]: https://github.com/vlderinger
[0000-0001-6873-0278]: https://orcid.org/0000-0001-6873-0278

## Core code developers and maintainers

**Dr. Christina Ertural** [![gh]][QuantumChemist] [![orc]][0000-0002-7696-5824] \
BAM Berlin

[QuantumChemist]: https://github.com/QuantumChemist
[0000-0002-7696-5824]: https://orcid.org/0000-0002-7696-5824

**Natascia Fragapane** [![gh]][nfragapane]\
University of Oxford

[nfragapane]: https://github.com/nfragapane

**Prof. Janine George** [![gh]][JaGeo] [![orc]][0000-0001-8907-0336] [[website](https://jageo.github.io/)]\
BAM Berlin and Friedrich Schiller University Jena

**Dr Yuanbin Liu** [![gh]][YuanbinLiu] [![orc]][0000-0002-5948-7031] \
University of Oxford

[YuanbinLiu]: https://github.com/YuanbinLiu
[0000-0002-5948-7031]: https://orcid.org/0000-0002-5948-7031

**Aakash Ashok Naik** [![gh]][naik-aakash] [![orc]][0000-0002-6071-6786] \
BAM Berlin and Friedrich Schiller University Jena

[naik-aakash]: https://github.com/naik-aakash
[0000-0002-6071-6786]: https://orcid.org/0000-0002-6071-6786

## Contributors

**Joe Morrow** [![gh]][MorrowChem] [![orc]][0000-0002-3441-8646] (RSS code)\
University of Oxford

[MorrowChem]: https://github.com/morrowchem
[0000-0002-3441-8646]: https://orcid.org/0000-0002-3441-8646


We welcome contributions from other researchers! If you would like to contribute, please see the `How to contribute` guidelines.


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