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6cc7f3fceb
modified: l/libxcb/libxcb-1.11.1.eb modified: o/OpenFOAM/OpenFOAM-7-foss-2020a.eb new file: p/ParaView/ParaView-5.6.2-foss-2020a-Python-3.7.4-mpi.eb new file: r/RELION/RELION-3.1.0-gompi-2019b.eb new file: r/RELION/RELION-3.1.0-intel-2020a.eb
43 lines
1.4 KiB
Plaintext
43 lines
1.4 KiB
Plaintext
# IT4Innovations 2020
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# LK
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easyblock = 'CMakeMake'
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name = 'RELION'
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version = '3.1.0'
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homepage = 'http://www2.mrc-lmb.cam.ac.uk/relion/index.php/Main_Page'
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description = """RELION (for REgularised LIkelihood OptimisatioN, pronounce rely-on) is a stand-alone computer
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program that employs an empirical Bayesian approach to refinement of (multiple) 3D reconstructions or 2D class
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averages in electron cryo-microscopy (cryo-EM)."""
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toolchain = {'name': 'intel', 'version': '2020a'}
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source_urls = ['https://github.com/3dem/relion/archive/']
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sources = ['%(version)s.tar.gz']
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builddependencies = [('CMake', '3.16.2')]
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dependencies = [
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('X11', '20190717', '', ('GCCcore', '8.3.0')),
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('FLTK', '1.3.5', '', True),
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('LibTIFF', '4.1.0', '', ('GCCcore', '8.3.0')),
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# ('tbb', '2019_U9', '', ('GCCcore', '8.3.0')),
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('FFTW', '3.3.8'),
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('GTK+', '3.24.13', '', ('GCCcore', '8.3.0')),
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('libXrender', '0.9.9', '', True),
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]
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#configopts = "-DCMAKE_SHARED_LINKER_FLAGS='-lpthread' -DMPI_INCLUDE_PATH=$EBROOTIMPI/include64 "
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#configopts += "-DMPI_C_COMPILER=$EBROOTIMPI/bin64/mpiicc -DMPI_CXX_COMPILER=$EBROOTIMPI/bin64/mpiicpc "
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#configopts += "-DCUDA=OFF -DCudaTexture=OFF "
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#configopts += "-DALTCPU=ON -DMKLFFT=ON "
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#configopts += "-DALTCPU=ON -DMKLFFT=ON -DFORCE_OWN_TBB=OFF "
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sanity_check_paths = {
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'files': ['bin/relion'],
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'dirs': []
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}
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moduleclass = 'bio'
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