deploy: 9896b5f

.buildinfo

@@ -0,0 +1,4 @@
+# Sphinx build info version 1
+# This file records the configuration used when building these files. When it is not found, a full rebuild will be done.
+config: f4bb06e3dabb16fa363ac1a1f26ce6a4
+tags: 645f666f9bcd5a90fca523b33c5a78b7

_downloads/a4843ae081656414b03cd78a238508a0/test_project.yaml

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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:

_sources/about/changelog.md

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+```{include} ../../CHANGELOG.md
+```

_sources/about/contributing.md

@@ -0,0 +1,6 @@
+---
+orphan: true
+---
+
+```{include} ../../CONTRIBUTING.md
+```

_sources/about/contributors.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.
+
+