HPCC Modules

These are the modules that are currently available on the UCR HPC cluster.

Standards

Keep names of packages to all lowercase when possible.
Spaces are not allowed, underscores should be used in place of spaces for software module names.
Symlinks can be used to map to multiple softwares within an environment (ie. conda/singularity) as well as name variations.
When software requires a common write location or unique config file, use environment variables within the module to define these.

Locations

Source - All source code should be placed under the /opt/linux/rhel/8.x/x86_64/pkgs/src directory. Henceforth, this path will be refered to as $HPCC_MODULES/../src.
Install - All software installs should be done under the /opt/linux/rhel/8.x/x86_64/pkgs directory. Henceforth, this path will be refered to as $HPCC_MODULES.
Module - All modules should be defined under this repo, which is cloned under the /opt/linux/rhel/8.x/x86_64/modules directory. Henceforth, this path will be refered to as $HPCC_MODULES/../modules.

Note: Do NOT modify files directly under the $HPCC_MODULES../modules directory. Use your own cloned version of this repo.

Environment variables

The following variables are used and should be set automatically:

HPCC_MODULES - Path dynamically built by /etc/profile.d/hpcc_modules.sh based on OS and arch.
MODULESHOME - Path set by module system to specify home of module system.
MODULEPATH - List set by module system to indicate where modules live (colon delimited).

Note: Exporting MODULEPATH to a local clone of this repo can be useful for debugging.

Install Software

The most common forms of installs are either binary or source. We do support all kinds of packaged software, thus installations can become more complex then what is covered here. For specific installation details please refer to the documentation prodvided by the software as well as the individual README.md files contained within the installed module, assuming that the softwere had been installed previously.

Binary

When installing a binary all that is requied is to download and then extract. Sometimes there may be an install script to place the binaries under their final resting place, or you may have to do this manually.

Source

Configure

When installing from a configure based install, the following would typically apply:

configure --prefix=$HPCC_MODULES/$SOFT_NAME/$SOFT_VER
make
make install

CMake

When installing from a cmake based install, the following would typically apply:

mkdir build
cd build
cmake -DCMAKE_INSTALL_PREFIX=$HPCC_MODULES/$SOFT_NAME/$SOFT_VER ../
make
make install

Documentation

When creating a module you must create a README.md file within the software module directory with reproducible instructions. Creating a hpcc_install.sh script within the source tree can also be very useful for later installs.

Here is a cmake example: openbabel/README.md
Here is a conda example: qiime2/README.md
Here is a singularity example: freefem/README.md

Create Module

First set some variables:

# Software name
SOFT_NAME=[software name]

# First character of software name
SOFT_FIRST=${SOFT_NAME:0:1}

# Software version
SOFT_VER=[software version]

Make sure you have a checkout of the hpcc_modules repository
Login as pkgadmin
Create and move into the $HPCC_MODULES/../src/$SOFT_FIRST/$SOFT_NAME directory
Download and extract the source files
Create a directory named $HPCC_MODULES/$SOFT_NAME/$SOFT_VER
Move binaries (precompiled) or install software into the directory created in step 5
Log out of pkgadmin
Move to your local hpcc_modules repo checkout
Copy any one of the existing directories, an rename it to $SOFT_NAME
Go into the newly created $SOFT_NAME directory
By default the latest version will be loaded, if this is not wanted then add the .version file
Rename one of the contained files to $SOFT_VER
Edit the file from step 12 so that it contains the correct module name, version and paths
git add [soft version] as well as .version if added, then git commit the changes, lastly do git push
After this you can test the installation by trying module load $SOFT_NAME and module avail $SOFT_NAME
Make sure to document how the software was installed within a corresponding README.md file.

ucr-hpcc/hpcc_modules