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44 lines
1012 B
Plaintext
44 lines
1012 B
Plaintext
easyblock = 'CMakeMake'
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name = 'PCMSolver'
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version = '20160205'
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homepage = 'https://pcmsolver.readthedocs.org'
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description = """An API for the Polarizable Continuum Model."""
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toolchain = {'name': 'intel', 'version': '2016a'}
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toolchainopts = {'cstd': 'c99'}
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sources = ['2473699d6c5db36525160e.tar.gz']
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source_urls = ['https://github.com/PCMSolver/pcmsolver/archive/']
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python = 'Python'
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pyver = '2.7.11'
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versionsuffix = '-%s-%s' % (python, pyver)
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dependencies = [
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(python, pyver),
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('zlib', '1.2.8'),
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('Boost', '1.59.0', versionsuffix),
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]
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builddependencies = [
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('CMake', '3.4.3'),
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('Eigen', '3.2.7'),
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]
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configopts = '-DCMAKE_BUILD_TYPE=Release -DEIGEN3_ROOT=$EBROOTEIGEN -DCMAKE_CXX_FLAGS="$LIBLAPACK_MT -DEIGEN_USE_MKL_ALL"'
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separate_build_dir = True
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runtest = 'test'
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postinstallcmds = ["chmod +x %(installdir)s/bin/pcmsolver.py"]
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sanity_check_paths = {
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'files': ['bin/pcmsolver.py', 'lib/libpcm.a', 'lib/libpcm.%s' % SHLIB_EXT],
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'dirs': ['include']
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}
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moduleclass = 'chem'
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