This project tries and test approaches that might lead to an improved architecture for nomad@FAIR.

Getting started

Read the docs. The documentation is part of the source code. It covers aspects like introduction, architecture, development setup/deployment, contributing, and API reference.

Read the docs on the latest deployed version

Currently, there is only a staging version running at garching. There is no real production system yet. You have to expect frequent down times and restarts. You can access the running system and its documentation here:

http://enc-staging-nomad.esc.rzg.mpg.de/nomad/docs

Generate the docs from the source

First, clone this repo and init its submodules:

git clone git@gitlab.mpcdf.mpg.de:nomad-lab/nomad-FAIR.git
cd nomad-FAIR
git submodules init --depth 1

Second, create and source your own virtual python environment:

pip install virtualenv
virtualenv -p `which python3` .pyenv
source .pyenv/bin/activate

Third, install the development dependencies, including the documentation system sphinx:

pip install --upgrade pip
pip install --upgrade setuptools
pip install -r requirements.txt

Forth, generate the documentation:

cd docs
make html

Conintue with reading the documentation for further setup and contribution guidelines:

cd .build/html
python -m http.server 8888

Open http://localhost:8888/html/setup.html in your browser.

Change log

v0.5.0

• Raw file API with support to list directories. This replaces the files calculation metadata key. It was necessary due to arbitrary large lists of auxfiles in some calculations.
• Refactored search API that allows to search for entries (paginated + scroll), metrics based on quantity aggregations (+ paginated entries), quantity aggregations with all values via after key (+ paginated entries).
• reprocessing of published results (e.g. after parser/normalizer improvements)
• mirror functionality
• refactored command line interface (CLI)
• many minor bugfixes

v0.4.7

• more migration scripts
• minor bugfixes

v0.4.6

• admin commands to directly manipulate upload data
• additional migration scripts
• fixed system normalizer to understand indexed atom labels correctly
• many minor bugfixes

v0.4.5

• improved uploads view with published uploads
• support for publishing to the existing nomad CoE repository
• many minor bugfixes

v0.4.4

• improved GUI navigation
• support for multiple domains
• info API endpoint
• metainfo browser
• support for latest exciting version
• bugfixes in system normalization
• many minor bugfixes

v0.4.3

• more flexible celery routing
• config via nomad.yml
• repo_db can be disabled
• publishing of calculations with failed processing
• cli for managing running processing tasks

v0.4.2

• bugfixes regarding the migration
• better migration configurability and reproducibility
• scales to multi node kubernetes deployment