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Build_train_and_test_sets.ipynb

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  • gcc11ize.py 12.51 KiB
    #!/usr/bin/env python3
    """Try to change from GCC10 to GCC11
    
    For it, you need
    
    - Python3
    """
    
    import argparse
    
    
    releases = {
        'ASE':                      ['3.19.2',          '3.22.0'],
        'ATK':                      ['2.36.0',          '2.36.0'],
        'AT-SPI2-ATK':              ['2.34.2',          '2.38.0'],
        'AT-SPI2-core':             ['2.36.0',          '2.40.3'],
        'Autotools':                ['20200321',        '20210726'],
        'archspec':                 ['0.1.0',           '0.1.3'],
        'binutils':                 ['2.36.1',          '2.37'],
        'Bison':                    ['3.6.4',           '3.7.6'],
        'Boost':                    ['1.74.0',          '1.78.0'],
        'Boost.Python':             ['1.74.0',          '1.78.0'],
        'cairo':                    ['1.17.2',          '1.16.0'],
        'CMake':                    ['3.18.0',          '3.21.1'],
        'CGAL':                     ['5.1',             '5.2'],
        'Clang':                    ['11.0.1',          '13.0.1'],
        'Coreutils':                ['8.32',            '9.0'],
        'CUDA':                     ['11.3',            '11.5'],
        'cuDNN':                    ['8.2.1.32',        '8.2.2.26'],
        'cURL':                     ['7.71.1',          '7.78.0'],
        'dask':                     ['2.22.0',          '2021.9.1'],
        'DBus':                     ['1.12.20',         '1.13.18'],
        'Eigen':                    ['3.3.7',           '3.3.9'],
        'ESMF':                     ['8.0.1',           '8.2.0'],
        'FFmpeg':                   ['4.3.1',           '4.4.1'],
        'FFTW':                     ['3.3.8',           '3.3.10'],
        'Flask':                    ['1.1.4',           '2.0.2'],
        'flex':                     ['2.6.4',           '2.6.4'],
        'FLTK':                     ['1.3.5',           '1.3.7'],
        'fontconfig':               ['2.13.92',         '2.13.94'],
        'freetype':                 ['2.10.1',          '2.11.0'],
        'FriBidi':                  ['1.0.9',           '1.0.10'],
        'g2lib':                    ['3.1.0',           '3.2.0'],
        'g2clib':                   ['1.6.0',           '1.6.3'],
        'gc':                       ['8.0.2',           '8.2.0'],
        'GCC':                      ['10.3.0',          '11.2.0'],
        'GDAL':                     ['3.1.2',           '3.3.2'],
        'gcccoremkl':               ['10.3.0-2021.2.0', '11.2.0-2021.4.0'],
        'gnuplot':                  ['5.2.8',           '5.4.2'],
        'Gdk-Pixbuf':               ['2.40.0',          '2.42.6'],
        'GEOS':                     ['3.8.1',           '3.9.1'],
        'Ghostscript':              ['9.52',            '9.54.0'],
        'GLib':                     ['2.64.4',          '2.69.1'],
        'GLPK':                     ['4.65',            '5.0'],
        'GMP':                      ['6.2.0',           '6.2.1'],
        'Go':                       ['1.15.3',          '1.17.3'],
        'GObject-Introspection':    ['1.64.1',          '1.68.0'],
        'gomkl':                    ['2021',            '2021b'],
        'gpsmkl':                   ['2021',            '2021b'],
        'gpsmpi':                   ['2021',            '2021b'],
        'GraphicsMagick':           ['1.3.35',          '1.3.36'],
        'GSL':                      ['2.6',             '2.7'],
        'GTK+':                     ['3.24.17',         '3.24.23'],
        'GTS':                      ['0.7.6',           '0.7.6'],
        'HarfBuzz':                 ['2.6.7',           '2.8.2'],
        'HDF5':                     ['1.10.6',          '1.12.1'],
        'HTSLib':                   ['1.1.4',           '1.1.4'],
        'h5py':                     ['3.1.0',          '3.5.0'],
        'ICU':                      ['67.1',            '70.1'],
        'ImageMagick':              ['7.0.10-25',       '7.1.0.13'],
        'imkl':                     ['2021.2.0',        '2021.4.0'],
        'intel-para':               ['2021',            '2021b'],
        'ipsmpi':                   ['2021',            '2021b'],
        'intltool':                 ['0.51.0',          '0.51.0'],
        'ispc':                     ['1.12.0',          '1.16.1'],
        'JasPer':                   ['2.0.19',          '2.0.33'],
        'Java':                     ['15',              '15'],
        'kim-api':                  ['2.1.3',           '2.2.1'],
        'libcroco':                 ['0.6.13',          '0.6.13'],
        'libdap':                   ['3.20.6',          '3.20.8'],
        'libdrm':                   ['2.4.106',         '2.4.107'],
        'libepoxy':                 ['1.5.4',           '1.5.9'],
        'libffi':                   ['3.3',             '3.4.2'],
        'libgd':                    ['2.3.0',           '2.3.1'],
        'libjpeg-turbo':            ['2.0.5',           '2.1.1'],
        'libreadline':              ['8.0',             '8.1'],
        'librsvg':                  ['2.48.8',          '2.51.2'],
        'LibTIFF':                  ['4.1.0',           '4.3.0'],
        'libunwind':                ['1.4,0',           '1.5.0'],
        'libxc':                    ['5.1.5',           '5.1.6'],
        'libxml2':                  ['2.9.10',          '2.9.10'],
        'LLVM':                     ['10.0.1',          '13.0.0'],
        'M4':                       ['1.4.18',          '1.4.19'],
        'Mako':                     ['1.1.3',           '1.1.4'],
        'matplotlib':               ['3.4.2',           '3.4.3'],
        'Meson':                    ['0.55.0',          '0.58.2'],
        'MPFR':                     ['4.1.0',           '4.1.0'],
        'NASM':                     ['2.15.03',         '2.15.05'],
        'Ninja':                    ['1.10.0',          '1.10.2'],
        'NSS':                      ['3.51',            '3.69'],
        'netCDF':                   ['4.7.4',           '4.8.1'],
        'numactl':                  ['2.0.13',          '2.0.14'],
        'OpenEXR':                  ['2.5.2',           '3.1.1'],
        'OpenGL':                   ['2020',            '2021b'],
        'Pango':                    ['1.44.7',          '1.48.8'],
        'parallel':                 ['20201122',        '20210722'],
        'PCRE2':                    ['10.34',           '10.37'],
        'PCRE':                     ['8.44',            '8.45'],
        'Perl':                     ['5.32.0',          '5.34.0'],
        'pkg-config':               ['0.29.2',          '0.29.2'],
        'pkgconfig':                ['1.5.4',           '1.5.5'],
        'PROJ':                     ['7.1.0',           '8.1.0'],
        'PLUMED':                   ['2.6.1',           '2.7.2'],
        'protobuf':                 ['3.14.0',          '3.17.3'],
        'psmpi':                    ['5.4.9-1',         '5.5.0-1'],
        'pybind11':                 ['2.5.0',           '2.7.1'],
        'pyproj':                   ['2.6.1.post1',     '3.3.0'],
        'Python':                   ['3.8.5',           '3.9.6'],
        'PyTorch':                  ['1.8.1',           '1.11'],
        'Qhull':                    ['2020.1',          '2020.2'],
        'Qt5':                      ['5.14.2',          '5.15.2'],
        'RDFlib':                   ['5.0.0',           '6.0.2'],
        're2c':                     ['1.3',             '2.2'],
        'Rust':                     ['1.47.0',          '1.54.0'],
        'scikit':                   ['2021',            '2022'],
        'SciPy-Stack':              ['2021',            '2021b'],
        'Shapely':                  ['1.7.1',           '1.8.0'],
        'SuiteSparse':              ['5.7.1',           '5.10.1'],
        'snappy':                   ['1.1.8',           '1.1.9'],
        'SQLite':                   ['3.32.3',          '3.36'],
        'Tcl':                      ['8.6.10',          '8.6.11'],
        'texinfo':                  ['6.7',             '6.8'],
        'texlive':                  ['20200406',        '20200406'],
        'torchvision':              ['0.9.1',           '0.12.0'],
        'tqdm':                     ['4.62.3',          '4.62.3'],
        'trimesh':                  ['3.8.11',          '3.9.36'],
        'UDUNITS':                  ['2.2.26',          '2.2.28'],
        'uftp':                     ['1.4.1',           '1.4.2'],
        'X11':                      ['20200222',        '20210802'],
        'x264':                     ['20200912',        '20210613'],
        'XServer':                  ['1.20.9',          '1.20.13'],
        'zlib':                     ['1.2.11',          '1.2.11'],
        'zstd':                     ['1.4.9',           '1.5.0'],
    }
    
    
    def parse_arguments():
        """Receives command line input"""
        parser = argparse.ArgumentParser(description='Command line options.')
        parser.add_argument('-i', metavar='INPUT', default="", type=str,
                            help='Input File')
        parser.add_argument('-o', metavar='OLDRELEASE', default="", type=str,
                            help='Current version of given software to be replaced')
        parser.add_argument('-n', metavar='LATESTRELEASE', default="", type=str,
                            help='Most recent version of given software')
    
        return parser.parse_args()
    
    
    def updateFileName(fileName, current, latest):
        """Tries to bring filename automatically to the latest toolchain"""
        if current and latest:
            fileName = fileName.replace(current, latest, 1)
        if fileName:
            fileName = fileName.replace(releases['GCC'][0], releases['GCC'][1], 1)
            if 'gcccoremkl' in fileName:
                fileName = fileName.replace(
                    releases['imkl'][0], releases['imkl'][1], 1)
            elif 'gomkl' in fileName:
                fileName = fileName.replace(
                    releases['gomkl'][0], releases['gomkl'][1], 1)
            elif 'gpsmpi' in fileName:
                fileName = fileName.replace(
                    releases['gpsmpi'][0], releases['gpsmpi'][1], 1)
            elif 'gpsmkl' in fileName:
                fileName = fileName.replace(
                    releases['gpsmkl'][0], releases['gpsmkl'][1], 1)
            elif 'ipsmpi' in fileName:
                fileName = fileName.replace(
                    releases['ipsmpi'][0], releases['ipsmpi'][1], 1)
            elif 'intel-para' in fileName:
                fileName = fileName.replace(
                    releases['intel-para'][0], releases['intel-para'][1], 1)
            fileName = fileName.replace(
                '-Python-3.8.5', '', 1)
        return fileName
    
    
    def updateFile(oldName, newName, current, latest):
        versionSuffixIsPython = False
        """Replaces toolchain, cleans up site_contacts and goes through the list of releases with the new one"""
        if newName is not oldName:
            newFile = open(newName, 'w')
            with open(oldName) as file:
                for line in file:
                    if current and latest:
                        if line.startswith('version'):
                            print("Changing package version...")
                            line = line.replace(current, latest, 1)
                    if line.startswith('toolchain'):
                        print("Fixing toolchain...")
                        line = line.replace(
                            releases['GCC'][0], releases['GCC'][1], 1)
                        line = line.replace(
                            releases['imkl'][0], releases['imkl'][1], 1)
                        line = line.replace(
                            releases['gomkl'][0], releases['gomkl'][1], 1)
                        line = line.replace(
                            releases['gpsmpi'][0], releases['gpsmpi'][1], 1)
                        line = line.replace(
                            releases['ipsmpi'][0], releases['ipsmpi'][1], 1)
                        line = line.replace(
                            releases['intel-para'][0], releases['intel-para'][1], 1)
                        line = line.replace(
                            releases['gcccoremkl'][0], releases['gcccoremkl'][1], 1)
                    if line.startswith('site_contacts'):
                        print("Removing site_contacts")
                        line = ""
                    for key in releases:
                        if key in line:
                            print("Changing", key, "from",
                                  releases[key][0], "to", releases[key][1])
                            line = line.replace(
                                releases[key][0], releases[key][1], 1)
                    if line.startswith("versionsuffix = '-Python"):
                        print("Removing python version suffix")
                        versionSuffixIsPython = True
                        line = ''
                    if versionSuffixIsPython:
                        line = line.replace(', versionsuffix', '', 1)
                    newFile.write(line)
            newFile.close()
            return True
        else:
            print("Files are the same")
            return False
    
    
    if __name__ == "__main__":
        args = parse_arguments()
        newFile = updateFileName(args.i, args.o, args.n)
        if updateFile(args.i, newFile, args.o, args.n):
            print("Updated", args.i, ' to GCC',
                  releases['GCC'][1], 'and to version', args.n)
            print("Run: \n\neb -l %s" % newFile)