EasyBuild setup instructions

Install new version

ml easybuild
eb --install-latest-eb-release --prefix /apps/software/EasyBuild/x.y.z

Configuration

Move /apps/standard/core/EasyBuild/x.y.z.lua to /apps/modulefiles/easybuild. Append:

setenv("CONTAINERDIR", "/share/resources/containers/apptainer")

Create ~/.config/easybuild if it does not already exist and copy config.cfg. A blank file can be generated via

eb --confighelp > $HOME/.config/easybuild/config.cfg

To see just the uncommented lines of the config file:

$ grep ^[^#] ~/.config/easybuild/config.cfg 
[MAIN]
[basic]
repositorypath=/apps/ebscripts/easybuild/easyconfigs
robot-paths=%(repositorypath)s:%(DEFAULT_ROBOT_PATHS)s
[config]
buildpath=/tmp/uvacse
hooks=/home/uvacse/ebhook/rivanna_hook.py
installpath=/apps
module-naming-scheme=SSZ_HMNS
sourcepath=/share/resources/apps/source
subdir-modules=modulefiles/standard
subdir-software=software/standard
suffix-modules-path=
[container]
[easyconfig]
[github]
[informative]
[job]
[override]
default-opt-level=opt
fixed-installdir-naming-scheme=False
optarch=intel:-march=skylake;GCC:-march=skylake;NVHPC:-tp=px
[package]
[regtest]
[software]
[unittest]

Hook

Copy rivanna_hook.py from this repo to /home/uvacse/ebhook.

Module naming scheme

Copy ssz_hmns.py from this repo to lib/pythonX.Y/site-packages/easybuild/tools/module_naming_scheme. If the syntax has changed, start from hierarchical_mns.py:

• Change value of CORE/COMPILER/MPI/TOOLCHAIN to lowercase
• TOOLCHAIN = toolchains
• class SSZ_HMNS
• det_short_module_name: (Pseudocode) return ec['name'].lower() if not 'R'
• det_module_subdir: return subdir.lower()

if tc_comps is None:
    # no compiler in toolchain, system toolchain => Core module
    self.log.debug('ec.toolchain.TOOLCHAIN_FAMILY=%s', ec.toolchain.TOOLCHAIN_FAMILY)
    if ec['moduleclass'] == 'toolchain':
        subdir = TOOLCHAIN
    else:
        subdir = CORE

• det_modpath_extensions: Add .lower() to all names; excluded_comps = ['GCC', 'NVHPC', 'intel']

• Add is_short_modname_for from mns.py. Add .lower() to name and short_modname.

Container toolchain

1. In lib/pythonX.Y/site-packages/easybuild/tools/module_naming_scheme/toolchain.py:

   from easybuild.tools.toolchain.container import CONTAINER_FAMILY
   ...
   if ec.toolchain.is_system_toolchain() or ec.toolchain.name == 'apptainer':

2. (Skip if copying ssz_hmns.py from this repo.) In lib/pythonX.Y/site-packages/easybuild/tools/module_naming_scheme/ssz_hmns.py:

   CONTAINER = 'container'
   CONTAINER_TOOLCHAINS = ['apptainer']
   MODULECLASS_CONTAINER = 'containersystem'
   
   # Under det_module_subdir:
           if tc_comps is None:
               ...
               elif ec.toolchain.TOOLCHAIN_FAMILY == 'CONTAINER':
                   subdir = os.path.join(CONTAINER, ec.toolchain.name, ec.toolchain.version)

3. Copy container.py from this repo to lib/pythonX.Y/site-packages/easybuild/tools/toolchain. (If syntax has changed, start from toolchains/compiler/systemcompiler.py.)

4. Copy apptainer.py from this repo to lib/pythonX.Y/site-packages/easybuild/toolchains.

5. In lib/pythonX.Y/site-packages/easybuild/tools/toolchain/toolchain.py:

   def prepare(self...
   ...
   #                                    vvvvvvvvvvvvvvvvvvvvvvvvvvvvvv
           if self.is_system_toolchain() or self.name == 'apptainer':
   
               # define minimal build environment when using system toolchain;
               # this is mostly done to try controlling which compiler commands are being used,
               # cfr. https://github.com/easybuilders/easybuild-framework/issues/3398
               self.set_minimal_build_env()

6. Copy apptainerimage.py from this repo to lib/pythonX.Y/site-packages/easybuild/easyblocks/a. (If syntax has changed, compare with lib/pythonX.Y/site-packages/easybuild/easyblocks/generic/binary.py.)

Custom Easyblocks

(Optional) In lib/pythonX.Y/site-packages/easybuild/easyblocks/generic/conda.py add or get_software_root('miniforge') for the conda_cmd = 'mamba' case.

Citation

R. Sun and K. Siller, HPC Container Management at the University of Virginia, PEARC '24: Practice and Experience in Advanced Research Computing 2024: Human Powered Computing 73, 1 (2024). doi:10.1145/3626203.3670568