mirror of
https://code.it4i.cz/sccs/easyconfigs-it4i.git
synced 2025-04-07 23:42:12 +01:00
e3c5bfa27d
new file: f/FFC/FFC-2018.1.0-conda.eb modified: f/FFC/FFC-2019.1.0-conda.eb modified: o/OpenMPI/OpenMPI-1.10.7-GCC-6.3.0-2.27.eb new file: p/PLY/PLY-3.11-intel-2020a-Py-3.7.eb modified: p/petsc4py/petsc4py-3.12.0-Py-3.7.eb modified: r/RELION/RELION-3.1.0-intel-2020a.eb new file: r/RELION/fltk-ftp.patch deleted: r/RELION/RELION-3.1.0-gompi-2019b.eb
36 lines
867 B
Plaintext
36 lines
867 B
Plaintext
# IT4Innovations 2020
|
|
# LK
|
|
|
|
easyblock = 'CMakeMake'
|
|
|
|
name = 'RELION'
|
|
version = '3.1.0'
|
|
|
|
homepage = 'http://www2.mrc-lmb.cam.ac.uk/relion/index.php/Main_Page'
|
|
description = """RELION (for REgularised LIkelihood OptimisatioN, pronounce rely-on) is a stand-alone computer
|
|
program that employs an empirical Bayesian approach to refinement of (multiple) 3D reconstructions or 2D class
|
|
averages in electron cryo-microscopy (cryo-EM)."""
|
|
|
|
toolchain = {'name': 'intel', 'version': '2020a'}
|
|
|
|
source_urls = ['https://github.com/3dem/relion/archive/']
|
|
sources = ['%(version)s.tar.gz']
|
|
patches = ['fltk-ftp.patch']
|
|
|
|
builddependencies = [
|
|
('CMake', '3.16.2'),
|
|
]
|
|
|
|
dependencies = [
|
|
('LibTIFF', '4.1.0', '', ('GCCcore', '8.3.0')),
|
|
]
|
|
|
|
configopts = "-DMKLFFT=ON -DFORCE_OWN_FLTK=ON "
|
|
|
|
sanity_check_paths = {
|
|
'files': ['bin/relion'],
|
|
'dirs': []
|
|
}
|
|
|
|
moduleclass = 'bio'
|