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35 """A utility module to help manage the matrix of configurations for CI testing and build containers.
37 When called as a stand alone script, prints a Docker image name based on the
38 command line arguments. The Docker image name is of the form used in the GROMACS
43 $ python3 -m utility --llvm --doxygen
44 gromacs/ci-ubuntu-20.04-llvm-7-docs
49 As a module, provides importable argument parser and docker image name generator.
51 Note that the parser is created with ``add_help=False`` to make it friendly as a
52 parent parser, but this means that you must derive a new parser from it if you
53 want to see the full generated command line help.
58 # utility.parser does not support `-h` or `--help`
59 parser = argparse.ArgumentParser(
60 description='GROMACS CI image creation script',
61 parents=[utility.parser])
62 # ArgumentParser(add_help=True) is default, so parser supports `-h` and `--help`
65 :file:`scripted_gmx_docker_builds.py`
68 * Paul Bauer <paul.bauer.q@gmail.com>
69 * Eric Irrgang <ericirrgang@gmail.com>
70 * Joe Jordan <e.jjordan12@gmail.com>
71 * Mark Abraham <mark.j.abraham@gmail.com>
78 parser = argparse.ArgumentParser(description='GROMACS CI image slug options.', add_help=False)
79 """A parent parser for tools referencing image parameters.
81 This argparse parser is defined for convenience and may be used to partially initialize
84 .. warning:: Do not modify this parser.
86 Instead, inherit from it with the *parents* argument to :py:class:`argparse.ArgumentParser`
89 parser.add_argument('--cmake', nargs='*', type=str, default=['3.16.3', '3.17.2', '3.18.4'], # new minimum required versions
90 help='Selection of CMake version to provide to base image')
92 compiler_group = parser.add_mutually_exclusive_group()
93 compiler_group.add_argument('--gcc', type=int, nargs='?', const=7, default=7,
94 help='Select GNU compiler tool chain. (Default) '
95 'Some checking is implemented to avoid incompatible combinations')
96 compiler_group.add_argument('--llvm', type=str, nargs='?', const='7', default=None,
97 help='Select LLVM compiler tool chain. '
98 'Some checking is implemented to avoid incompatible combinations')
99 # TODO currently the installation merely gets the latest beta version of oneAPI,
100 # not a specific version. GROMACS probably doesn't need to address that until
101 # oneAPI makes an official release. Also, the resulting container is a mix
102 # of packages with different betaXY version numbers, which hopefully works and
103 # is what Intel intends...
104 compiler_group.add_argument('--oneapi', type=str, nargs='?', const="2021.1.1", default=None,
105 help='Select Intel oneAPI package version.')
107 linux_group = parser.add_mutually_exclusive_group()
108 linux_group.add_argument('--ubuntu', type=str, nargs='?', const='20.04', default='20.04',
109 help='Select Ubuntu Linux base image. (default: ubuntu 20.04)')
110 linux_group.add_argument('--centos', type=str, nargs='?', const='7', default=None,
111 help='Select Centos Linux base image.')
113 parser.add_argument('--cuda', type=str, nargs='?', const='11.0', default=None,
114 help='Select a CUDA version for a base Linux image from NVIDIA.')
116 parser.add_argument('--mpi', type=str, nargs='?', const='openmpi', default=None,
117 help='Enable MPI (default disabled) and optionally select distribution (default: openmpi)')
119 parser.add_argument('--tsan', type=str, nargs='?', const='llvm', default=None,
120 help='Build special compiler versions with TSAN OpenMP support')
122 parser.add_argument('--hipsycl', type=str, nargs='?', default=None,
123 help='Select hipSYCL repository tag/commit/branch.')
125 parser.add_argument('--rocm', type=str, nargs='?', const='debian', default=None,
126 help='Select AMD compute engine version.')
128 parser.add_argument('--intel-compute-runtime', type=str, nargs='?', default=None,
129 help='Select Intel Compute Runtime version.')
131 parser.add_argument('--clfft', type=str, nargs='?', const='master', default=None,
132 help='Add external clFFT libraries to the build image')
134 parser.add_argument('--doxygen', type=str, nargs='?', const='1.8.5', default=None,
135 help='Add doxygen environment for documentation builds. Also adds other requirements needed for final docs images.')
137 # Supported Python versions for maintained branches.
138 _python_versions = ['3.7.7', '3.8.2', '3.9.1']
139 parser.add_argument('--venvs', nargs='*', type=str, default=_python_versions,
140 help='List of Python versions ("major.minor.patch") for which to install venvs. '
141 'Default: {}'.format(' '.join(_python_versions)))
144 def image_name(configuration: argparse.Namespace) -> str:
145 """Generate docker image name.
147 Image names have the form ``ci-<slug>``, where the configuration slug has the form::
149 <distro>-<version>-<compiler>-<major version>[-<gpusdk>-<version>][-<use case>]
151 This function also applies an appropriate Docker image repository prefix.
154 configuration: Docker image configuration as described by the parsed arguments.
158 for distro in ('centos', 'ubuntu'):
159 version = getattr(configuration, distro, None)
160 if version is not None:
161 elements.append(distro + '-' + version)
163 for compiler in ('llvm', 'gcc'):
164 version = getattr(configuration, compiler, None)
165 if version is not None:
166 elements.append(compiler + '-' + str(version).split('.')[0])
168 for gpusdk in ('cuda', 'hipsycl'):
169 version = getattr(configuration, gpusdk, None)
170 if version is not None:
171 elements.append(gpusdk + '-' + version)
172 if configuration.oneapi is not None:
173 elements.append('oneapi-' + configuration.oneapi)
174 if configuration.intel_compute_runtime is not None:
175 elements.append('intel-' + configuration.intel_compute_runtime)
176 if configuration.rocm is not None:
177 if (configuration.rocm != 'debian'):
178 elements.append('rocm-' + configuration.rocm)
180 # Check for special cases
181 # The following attribute keys indicate the image is built for the named
183 cases = {'doxygen': 'docs',
186 value = getattr(configuration, attr, None)
187 if value is not None:
188 elements.append(cases[attr])
189 slug = '-'.join(elements)
190 # we are using the GitLab container registry to store the images
191 # to get around issues with pulling them repeatedly from DockerHub
192 # and running into the image pull limitation there.
193 return 'registry.gitlab.com/gromacs/gromacs/ci-' + slug
196 if __name__ == "__main__":
197 args = argparse.ArgumentParser(parents=[parser]).parse_args()
198 print(image_name(args))