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new file: b/Boost/Boost-1.68.0-intel-2017a.eb new file: b/Boost/Boost-1.68.0-intel-2017c.eb new file: "b/bcl2fastq2/\\" new file: b/bcl2fastq2/bcl2fastq2-2.20.0-intel-2017a-Py-2.7.eb new file: b/bcl2fastq2/bcl2fastq2-2.20.0-intel-2017a-Py-3.6.eb modified: d/DIRAC/DIRAC-18.0-intel-2017c-Py-2.7-test.eb new file: f/FastQC/FastQC-0.11.3.eb new file: f/FastQC/FastQC-0.11.8.eb new file: f/fontconfig/fontconfig-2.13.0-libpng-1.6.34.eb new file: g/GATK/GATK-4.1.2.0-Java-1.8.0_202.eb new file: g/GDAL/GDAL-2.4.0-intel-2017a-Py-3.6.eb new file: g/GEOS/GEOS-3.7.2-Py-3.6.eb new file: g/gnuplot/gnuplot-5.2.7-GCC-6.3.0-2.27.eb modified: h/HTSlib/HTSlib-1.6-intel-2017a.eb new file: l/libMesh/libMesh-1.4.1-intel-2017a.eb new file: l/libMesh/libMesh-1.4.1-intel-2017c.eb new file: m/MUMPS/MUMPS-5.2.0-intel-2017c-parmetis.eb modified: p/Python/Python-3.6.8-GCC-6.3.0-2.27-base.eb new file: r/R/R-3.5.3-intel-2017a-Py-3.6.eb modified: s/SAMtools/SAMtools-1.6-intel-2017a.eb new file: s/SWIG/SWIG-3.0.12-Py-3.6.eb deleted: b/bcl2fastq2/bcl2fastq2-2.20.0-intel-2017a-Python-2.7.13.eb
40 lines
1008 B
Plaintext
40 lines
1008 B
Plaintext
# IT4Innovations 2019
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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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