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Geneweaver

Development Setup

Dependencies

By default, only python3.9 and higher are supported. You may be able to run the application using python 3.7 or 3.8, but we do not explicitly maintain support for these versions.

Dependencies for the project are managed with poetry.

poetry install.

Environment Config

In the root directory of the project, create a .env file

DB_HOST = "localhost"
DB_PORT = 5432
DB_USERNAME = "geneweaver-dev"
DB_PASSWORD = ""
DB_NAME = "geneweaver-dev"
AUTH_CLIENTID = ""
AUTH_CLIENTSECRET = ""

You will need to reach out to the Geneweaver development team for the AUTH_CLIENTID and AUTH_CLIENTSECRET values.

If you are not hosting your own database instance, you will need to reach out to the Geneweaver development team for the value of DB_PASSWORD, and you will need to install and set up the cloud-sql-proxy tool from Google.

Using Jax Hosted Development Infrastructure

If you are using development infrastructure hosted by The Jackson laboratory, you will need to install the cloud-sql-proxy tool from Google. You can find the installation instructions here.

You will also need gcloud and kubectl installed on your machine and configured with the appropriate credentials.

Once you have the cloud-sql-proxy installed, you can run the following command to connect to the Geneweaver database. Please reach out to the Geneweaver team for the appropriate values for $PROJECT, $REGION, and $DBINSTANCE.

cloud-sql-proxy $PROJECT:$REGION:$DBINSTANCE

To use the development search index, you can port forward the search index service to your local machine using the following command. You will need to reach out to the Geneweaver team to get the appropriate cluster credentials.

kubectl port-forward \
  --namespace dev \
  $(kubectl get pod \
      --namespace dev \
      --selector="app=geneweaver-legacy" \
      --output jsonpath='{.items[0].metadata.name}') \
  9312:9312

Kubernetes Deployment

Kubernetes deployments are fully defined in the deploy/k8s directory in this repository.

Deployments are orchestrated using skaffold. For example:

skaffold run -p jax-cluster-dev-10--dev

You should never need to run these commands on your own. They are intended to be run through CICD.

Manual Setup (DEPRECATED)

System Requirements

GeneWeaver is designed to run on Linux and requires a relatively recent release. It has been tested on CentOS 7 and Red Hat distributions but should run on other distributions with minimal changes.

To begin, you'll need the following application dependencies:

RedHat/Fedora/CentOS:

$ sudo yum install boost boost-devel cairo cairo-devel git graphviz libffi libffi-devel libpqxx libpqxx-devel postgresql-server postgresql-devel rabbitmq-server sphinx ImageMagick ImageMagick-devel

Debian/Ubuntu:

$ sudo apt-get install libboost-all-dev libcairo2 libcairo2-dev git graphviz libffi6 libffi-dev libpqxx-4.0 libpqxx-dev postgresql postgresql-server-dev-9.5 rabbitmq-server sphinxsearch imagemagick libmagickcore-dev libmagickwand-dev

Ensure that the following applications meet these version requirements:

  • python == 3.7.*
  • PostgreSQL >= 9.2
  • Graphviz >= 2.3
  • RabbitMQ >= 3.3.*
  • Sphinx >= 2.1.*

Configuring the Python3 Environment

Python3 (3.7) versions and pip packages can be manged by pipenv

Detailed version information is specified and locked in Pipfile.lock.

(If you want to add or manage the version information, please read pipenv document and apply for other developers.)

How to run project

Initialize packages

# Install pipenv package and synchronize current python version for this repo.
$ cd {PROJECT_ROOT}
$ pip install pipenv
$ pipenv sync

Run packages

$ cd {PROJECT_ROOT}
$ pipenv run python src/application.py

Synchronize packages with current Pipfile.lock file

When package list has been changed, all packages should be synchronized.

$ pipenv sync

The more on the pipenv documentation.

Why Pipenv?

pipenv can automatically manage the versions of several packages explicitly. Since some packages do not support backward compatibility, pipenv can help to keep proper package versions.

How to set-up with Pycharm environment.

See Pycharm official instruction.

If you cannot find the pipenv on the interpreter settings, you can restart the Pycharm to let it check the PATH for pipenv.

Troubleshooting Sphinx Package

Pipenv should take care of all package dependencies for you. If you run into trouble setting up Sphinx, you may have luck with the following Geneweaver hosted package.

GeneWeaver utilizes Sphinx's python API. The python package can no longer be found in any of the PyPi repos but we have a custom package that can be retrieved and installed:

$ wget http://geneweaver.org/sphinxapi.tar.gz
$ pip install sphinxapi.tar.gz

Configuring PostgreSQL

This will eventually change to support installing and setting up a skeleton DB

In most cases, installing the Postgres server will automatically create a new postgres user to own and administer the server. If this user does not already exist, create it:

$ useradd -d /var/lib/pgsql postgres

Switch to the postgres user account:

$ sudo su - postgres

Initialize a database cluster to store the database(s):

$ initdb -D /var/lib/pgsql/data

Start the server:

$ pg_ctl start -D /var/lib/pgsql/data -l logfile

Add a role for future connections. We typically use 'odeadmin':

$ createuser -s odeadmin

Create a new database. We typically use 'geneweaver':

$ createdb geneweaver 

Performance Tuning

The defalut postgres settings are not optimal for dealing with large data sets. It is advised that you alter memory and cache parameters for a more performant database, especially if the database will be on its own server or you plan on utilizing variant annotation functions.

Copy the lines below to the end of the postgres configuration file which should be found at /var/lib/pgsql/data/postgresql.conf. Each setting is commented and you should alter them depending on your needs and available resources. The settings below were based on a server with 24GB of RAM.

## The amount of memory postgres uses for caching data. A good value (assuming
## a separate database server) is 1/4 the available RAM.
shared_buffers = 7168MB

## An estimate of memory available for disk caching and used by the query
## planner. Conservative value is 1/2 the available memory and a more
## aggressive amount is 3/4.
effective_cache_size = 18432MB

## Postgres writes DB transactions in segments of 16MB and everytime a number
## of these files (parameter below) has been written, a checkpoint occurs.
## Doing these frequently is resource intensive and requires a lot of overhead.
## The default is 3 (3 * 16MB = 48MB). A good value for larger datasets is
## anywhere from 32 (512MB) to 256 (4GB). Keep in mind large settings use
## more disk and cause longer recovery times.
checkpoint_segments = 64

## Memory used for in-memory sorts. This setting is used per connection and
## must be set with care. e.g. if it is set to 50MB and 30 users submit 
## queries, you will be using 1.5GB of real memory. If a query involves a 
## merge sort of 8 tables you are using (8 * 50MB = 400MB) of memory. For 
## applications that don't have many users at once, the value can be set 
## higher. Required whenever ORDER BY, DISTINCT, merge joins, or IN is used 
## in a query.
work_mem = 128MB

## Memory used by maintenance operations (e.g. VACUUM, CREATE INDEX). Only a
## single maintenance operation can be executed at a time so this value can be
## much higher than work_mem.
maintenance_work_mem = 512MB

If you altered any settings you will need to restart the server.

$ pg_ctl restart -D /var/lib/pgsql/data -m fast -l logfile

You can now log out of the postgres user account.

Dumping the Database

If you already have a copy of the DB, you can skip this section. Dumping a current instance of the GWDB is done in two parts. First, a copy of the schema is saved:

$ pg_dump -U odeadmin -Fc -Cs geneweaver > gw-schema.custom

Next, the data is stored separately. To speed up the restore process, we exclude two large tables, geneset_jaccard and result:

$ pg_dump -U odeadmin -Fc -a -T extsrc.geneset_jaccard -T production.result geneweaver > gw-data.custom

Restoring from a DB Dump

First restore the schema:

$ pg_restore --no-owner -d geneweaver -U postgres -s gw-schema.custom

Next, restore the data. The -j option specifies the number of cores to use during the restore process. The --disable-triggers option must be used otherwise the restore will fail. This will take several hours.

$ pg_restore -a -d geneweaver -Fc --disable-triggers -j 6 -S odeadmin -U odeadmin gw-data.custom

Running RabbitMQ

RabbitMQ is the message broker used by Celery to distribute GW tool runs. The easiest and most expected way to run it is with systemctl:

# Start Rabbitmq Server
sudo systemctl start rabbitmq-server

# Enable start on boot
sudo systemctl enable rabbitmq-server

# Check status
sudo systemctl status rabbitmq-server

Alternatively, it can be run in the background:

$ rabbitmq-server start &

Or it can be configured to start on boot and daemonized:

$ chkconfig rabbitmq-server on
$ /sbin/service rabbitmq-server start

Once runnning, it's a good idea to create a user, password, namepsace and permissions:

rabbitmqctl add_user geneweaver geneweaver
rabbitmqctl add_vhost geneweaver
rabbitmqctl set_permissions -p geneweaver geneweaver ".*" ".*" ".*"

This would result in a [celery] url that looks like the following

amqp://geneweaver:geneweaver@<RABBITMQ-SERVER-HOST>:5672/geneweaver

Configuring Sphinx

NOTE: This documentation on setting up Sphinx is in the process of being updated.

A sample sphinx config can be found in the sample-configs/ directory. The following example stores the Sphinx config and indices under /var/lib. Create a folder to hold the Sphinx config file and indices:

$ sudo mkdir /var/lib/sphinx/geneweaver
$ sudo cp geneweaver-configs/sphinx/sphinx.conf geneweaver-configs/sphinx/stopwords.txt /var/lib/sphinx/geneweaver

You'll have to make several edits to the sphinx configuration. First, edit the source base section to point to the newly set up Postgres DB.

Both source geneset_src and source geneset_delta_src sections contain an sql_query variable that should be edited to support any species that are currently found in the database. You'll have to associate the sp_id with a common species name.

Under the index geneset section, specify the full path of the geneset index using the path variable. This path can be anywhere on the system--we typically use the sphinx folder. Set the stopwords variable to the full path containing the list of stop words we copied into the sphinx folder above. Make the same changes under the index geneset_delta section too.

Create a 'log' directory; 'chown [sphinxuser]'.

Under the searchd section, change the log, query_log, and pid_file variables to point to full paths for each of those files.

Installing Sphinx will usually create a user to own the search server. If a sphinx user does not exist, create one:

$ useradd -d /var/lib/sphinx sphinx

Generate the search indices:

$ sudo -usphinx indexer --all --config /var/lib/sphinx/geneweaver/sphinx.conf

Start the server as the sphinx user:

$ sudo -usphinx searchd --config /var/lib/sphinx/geneweaver/sphinx.conf

Deploying GeneWeaver

Retrieve the GeneWeaver web application and toolset from the BitBucket repo. Create a new project folder if you haven't already:

$ mkdir /opt/geneweaver && cd /opt/geneweaver
$ git clone https://[email protected]/geneweaver/website-py.git
$ git clone https://[email protected]/geneweaver/tools.git

Configuring the Web Application

Provided all previous installations were successful, the web application should be ready to start. First, edit src/config.py and change the CONFIG_PATH variable to point to a location to store the GeneWeaver config file.

The config file doesn't need to exist, GeneWeaver will generate one for you to edit at the path you provide. Run the application once to generate the config file:

$ cd website-py
$ python src/application.py

Edit the newly generated configuration file with the proper application, celery, database, and sphinx information. In most cases, the default celery configuration is appropriate.

Create a results directory with 777 permissions. The path will be placed in the config file.

Configuring the Toolset

Like the web application, edit tools/config.py change the CONFIG_PATH variable to point to a location to store the tool config file. From the tools parent directory, you can run the tools once to generate a default config. If you installed virtualenv, be user to run the tools from that environment.

$ celery -A tools.celeryapp worker --loglevel=info

Edit the config with the appropriate information.

If you need to upgrade an older version of the toolset running celery 3.x, follow these steps:

  1. Pull the latest version of the tools and website-py repos.
  2. Upgrade the package requirements using pip $ pip install -r website-py/sample-configs/requirements.txt.
  3. Restart the tool and web applications.

NOTE: The tool table may be incompatible with the celeryapp.py tool list. You may drop the tool table data and reload with ODE-data-only-tool.dump to correct.

Compiling the Graph Tools

We use several highly optimized software implementations written in C/C++. This suite of tools can be found in the TOOLBOX/ directory and should be compiled prior to running the toolset written in Python.

Ensure gcc and other development tools exist on your system. If they are missing, install them:

$ sudo yum install gcc g++ make

These tools can be compiled using the "master" makefile located in TOOLBOX.

$ cd tools/TOOLBOX && make && cd ../..

Compiling the Distribution Generator

The distribution generator tool is written in C++ and used to generate a null distribution with which we can use to assess the significance of a jaccard similarity result. It is located in the tools/cpp_tools directory. This tool requires two dependencies, libpqxx and libpqxx-devel which should have been installed earlier.

This tool will generate a connection to the database and requires you to set the proper connection info. If you have been following this guide, the only connection parameter you should have to change is the database host address. This must be changed in the following files: distribution_generator.cpp, drone.cpp, and fileGenerator.cpp. fileGenerator.cpp contains two separate lines where the host address must be changed.

To change all the necessary lines in a single sitting, run the following command in the tools directory:

$ cd tools
$ find . -name "*.cpp" -exec sed -i "s/129.62.148.19/DATABASE_IP/g" '{}' \;

Then compile the distribution generator:

$ cd cpp_tools && make

Running the Application

GeneWeaver should now be ready to run. Start the tools application from the parent directory of the tools:

$ celery -A tools.celeryapp worker --loglevel=info

Start the web application from the website-py directory:

$ cd website-py
$ python src/application.py

By default the web app runs on port 5000. You can point your browser to the host you assigned and you should see the GeneWeaver home page. They application may require sudo privileges to establish a connection on the given port.

Serving Application Requests Through Nginx

Handling multiple requests using the Flask application alone may result in some performance issues. A web server can be used to handle user requests and route those requests to the web app. Start by installing nginx:

$ sudo yum install nginx

Serving Flask applications with nginx requires an additional deployment application such as uWSGI:

$ pip install uwsgi

Copy the sample uWSGI config, uwsgi.ini to an easily accessible directory such as /srv/geneweaver. Change the chdir, venv, and socket variables to match your installation directories. If you want to change the number of worker processes to spawn, and the number of threads per process, change the processes and threads variables.

There is a sample nginx config file in the sample-configs directory. The default nginx config, typically found in /etc/nginx should only require minor edits. Copy the custom geneweaver location blocks, location / and location @geneweaver from the sample nginx config to the one in /etc/nginx. Also ensure that the uwsgi_pass variable points to the correct socket location found in the uWSGI config. Start the nginx service:

$ sudo systemctl start nginx

Start uWSGI using the given configuration file:

$ uwsgi --ini uwsgi.ini

GeneWeaver should now be accessible using just the server name or IP address; all requests are routed through the default HTTP port (80).

Managing GeneWeaver with Supervisor (optional)

Supervisor is a system management utility that can be used to control the GeneWeaver application. Start by installing it:

$ sudo yum install supervisor

Copy the sample supervisord config from the sample-configs directory to a directory of your choosing. Here we use the geneweaver application directory:

$ cp sample-configs/supervisord.conf /srv/geneweaver

Create a folder to store the supervisord logs, or store them in any directory you wish:

$ mkdir /srv/geneweaver/supervisord

Now edit the supervisord.conf file to match your installation and log directories. After editing, you can start the supervisor:

$ sudo supervisord -c /srv/geneweaver/supervisord.conf

To manage your applications use:

$ sudo supervisorctl -c /srv/geneweaver/supervisord.conf