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Adding easybuild to documentation
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ifilot committed Sep 7, 2023
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Expand Up @@ -130,7 +130,53 @@ Typical output should look as follows::
EasyBuild Installation
----------------------

For HPC infrastructure, there is also the option to install :program:`Bramble` using EasyBuild.
Make a copy of `bramble-1.1.0.eb` and run::
For HPC infrastructure, there is also the option to install :program:`Bramble`
using `EasyBuild <https://easybuild.io/>`_.
Create a file called `bramble-<VERSION>.eb` and populate this file with::

eb bramble-1.1.0.eb --minimal-toolchains --add-system-to-minimal-toolchains --robot
name = 'Bramble'
version = '<VERSION>'

homepage = 'https://bramble.imc-tue.nl'
description = "Single atom pattern recognition algorithm based on the Common Neighbor Analysis method"

toolchain = {'name': 'GCC', 'version': '11.2.0'}

sources = [{
'filename': 'bramble-%(version)s.tar.gz',
'git_config': {
'url': 'https://github.com/ifilot',
'repo_name': 'bramble',
'tag': 'v%(version)s',
'keep_git_dir': True,
},
}]

dependencies = [('Eigen', '3.4.0'),
('TCLAP', '1.2.5'),
('Boost', '1.79.0'),
('CUDA', '12.1.0')]

builddependencies = [('CMake', '3.22.1'),
('pkg-config', '0.29.2')]

easyblock = 'CMakeMake'

srcdir = 'src'
separate_build_dir = True
runtest = 'test'
configopts = "-DCMAKE_BUILD_TYPE=Release -DMOD_CUDA=1"

sanity_check_paths = {
'files': ["bin/bramble"],
'dirs': [],
}

Note that you need to manually adjust the value of `<VERSION>` to the desired
version (e.g. `1.1.1`). To install, run the following::

eb bramble-<VERSION>.eb --robot --minimal-toolchains --add-system-to-minimal-toolchains

The `--robot` option aims to automatically resolve all dependencies. The
`--minimal-toolchains` and `--add-system-to-minimal-toolchains` options are
necessary to properly resolve the CUDA dependency.

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