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new file: d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7.eb new file: h/h5py/h5py-2.9.0-foss-2019a.eb new file: t/Tensorflow/TensorFlow-1.13.1-foss-2019a-Python-3.7.2-salomon.eb
42 lines
1.0 KiB
Plaintext
42 lines
1.0 KiB
Plaintext
# IT4Innovations 2019
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easyblock = 'ConfigureMake'
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name = 'DIRAC'
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version = '18.0'
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versionsuffix = '-Py-2.7-test'
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homepage = 'http://diracprogram.org/'
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description = """The DIRAC program computes molecular properties using relativistic quantum chemical methods."""
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toolchain = {'name': 'intel', 'version': '2017c'}
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toolchainopts = {'usempi': True}
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# requires registration/license to download, http://dirac.chem.sdu.dk/DIRAC14/
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sources = ['%(name)s-%(version)s-Source.tar']
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dependencies = [
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('zlib', '1.2.11', '', True),
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('Boost', '1.68.0', '-Py-2.7'),
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('Eigen', '3.3.7', '', True),
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('Py', '2.7', '', True)
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]
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builddependencies = [
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('CMake', '3.14.1', '', True)
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]
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skipsteps = ['configure']
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prebuildopts = './setup --fc=mpiifort --mpi --cc=mpiicc --cxx=mpicxx --prefix=/apps/all/DIRAC/%(version)s-intel-2017c-Py-2.7 && '
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prebuildopts += 'cd build && '
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preinstallopts = 'cd build && '
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preinstallopts += 'make install && '
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sanity_check_paths = {
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'files': [],
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'dirs': ['bin'],
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}
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moduleclass = 'chem'
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