2 # This file is part of the GROMACS molecular simulation package.
4 # Copyright (c) 2015,2016,2017,2018, by the GROMACS development team, led by
5 # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
6 # and including many others, as listed in the AUTHORS file in the
7 # top-level source directory and at http://www.gromacs.org.
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30 # official version at http://www.gromacs.org.
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33 # the research papers on the package. Check out http://www.gromacs.org.
37 # These are accessible later in the script, just like other
38 # declared options, via e.g. context.opts.release.
40 'mdrun-only': Option.simple,
41 'static': Option.simple,
42 'reference': Option.simple,
43 'release': Option.simple,
44 'release-with-assert': Option.simple,
45 'release-with-debug-info': Option.simple,
46 'asan': Option.simple,
49 'fftpack': Option.simple,
50 'double': Option.simple,
51 'thread-mpi': Option.bool,
53 'opencl': Option.bool,
54 'clang_cuda': Option.bool,
55 'openmp': Option.bool,
56 'nranks': Option.string,
57 'npme': Option.string,
58 'gpu_id': Option.string,
62 extra_projects = [Project.REGRESSIONTESTS]
64 def do_build(context):
66 cmake_opts['GMX_COMPILER_WARNINGS'] = 'ON'
67 cmake_opts['GMX_DEFAULT_SUFFIX'] = 'OFF'
68 cmake_opts['CMAKE_BUILD_TYPE'] = 'Debug'
69 cmake_opts['GMX_USE_RDTSCP'] = 'DETECT'
71 if context.opts.reference:
72 cmake_opts['CMAKE_BUILD_TYPE'] = 'Reference'
73 elif context.opts['release']:
74 cmake_opts['CMAKE_BUILD_TYPE'] = 'Release'
75 elif context.opts['release-with-assert']:
76 cmake_opts['CMAKE_BUILD_TYPE'] = 'RelWithAssert'
77 elif context.opts['release-with-debug-info']:
78 cmake_opts['CMAKE_BUILD_TYPE'] = 'RelWithDebInfo'
79 elif context.opts.asan:
80 cmake_opts['CMAKE_BUILD_TYPE'] = 'ASAN'
81 elif context.opts.tsan:
82 cmake_opts['CMAKE_BUILD_TYPE'] = 'TSAN'
84 if context.opts.static:
85 cmake_opts['BUILD_SHARED_LIBS'] = 'OFF'
88 cmake_opts['CMAKE_TOOLCHAIN_FILE'] = 'Platform/XeonPhi'
90 if context.opts.double:
91 cmake_opts['GMX_DOUBLE'] = 'ON'
93 if context.opts.simd is None:
94 cmake_opts['GMX_SIMD'] = 'None'
96 cmake_opts['GMX_SIMD'] = context.opts.simd
97 if context.opts.gpu or context.opts.opencl:
98 cmake_opts['GMX_GPU'] = 'ON'
99 if context.opts.opencl:
100 context.env.set_env_var('CUDA_PATH', context.env.cuda_root)
101 context.env.set_env_var('AMDAPPSDKROOT', context.env.amdappsdk_root)
102 cmake_opts['GMX_USE_OPENCL'] = 'ON'
104 cmake_opts['CUDA_TOOLKIT_ROOT_DIR'] = context.env.cuda_root
105 if context.opts.clang_cuda:
106 cmake_opts['GMX_CLANG_CUDA'] = 'ON'
108 cmake_opts['CUDA_HOST_COMPILER'] = context.env.cuda_host_compiler
110 cmake_opts['GMX_GPU'] = 'OFF'
111 if context.opts.thread_mpi is False:
112 cmake_opts['GMX_THREAD_MPI'] = 'OFF'
114 cmake_opts['GMX_MPI'] = 'ON'
115 if context.opts.openmp is False:
116 cmake_opts['GMX_OPENMP'] = 'OFF'
117 if context.opts.tng is False:
118 cmake_opts['GMX_USE_TNG'] = 'OFF'
121 cmake_opts['GMX_FFT_LIBRARY'] = 'mkl'
122 elif context.opts.fftpack:
123 cmake_opts['GMX_FFT_LIBRARY'] = 'fftpack'
124 if context.opts.mkl or context.opts.atlas:
125 cmake_opts['GMX_EXTERNAL_BLAS'] = 'ON'
126 cmake_opts['GMX_EXTERNAL_LAPACK'] = 'ON'
127 if context.opts.clFFT:
128 cmake_opts['GMX_EXTERNAL_CLFFT'] = 'ON'
129 cmake_opts['clFFT_ROOT'] = context.env.clFFT_root
131 if context.opts.hwloc is False:
132 cmake_opts['GMX_HWLOC'] = 'OFF'
135 cmake_opts['GMX_X11'] = 'ON'
137 if context.opts.tidy:
138 cmake_opts['GMX_CLANG_TIDY'] = 'ON'
139 cmake_opts['CLANG_TIDY'] = context.env.cxx_compiler.replace("clang++", "clang-tidy")
141 # At least hwloc on Jenkins produces a massive amount of reports about
142 # memory leaks, which cannot be reasonably suppressed because ASAN cannot
143 # produce a reasonable stack trace for them.
144 if context.opts.asan:
145 cmake_opts['GMX_HWLOC'] = 'OFF'
147 regressiontests_path = context.workspace.get_project_dir(Project.REGRESSIONTESTS)
149 if context.job_type == JobType.RELEASE:
150 cmake_opts['REGRESSIONTEST_PATH'] = regressiontests_path
152 if context.opts.mdrun_only:
153 cmake_opts['GMX_BUILD_MDRUN_ONLY'] = 'ON'
155 context.env.set_env_var('GMX_NO_TERM', '1')
157 context.run_cmake(cmake_opts)
158 context.build_target(target=None, keep_going=True)
160 # TODO: Consider if it would be better to split this into a separate build
161 # script, since it is somewhat different, even though it benefits from some
162 # of the same build options.
163 if context.job_type == JobType.RELEASE:
164 context.build_target(target='check', keep_going=True)
165 context.build_target(target='install')
166 if context.opts.mdrun_only:
167 context.workspace.clean_build_dir()
168 cmake_opts['REGRESSIONTEST_PATH'] = None
169 cmake_opts['GMX_BUILD_MDRUN_ONLY'] = 'ON'
170 context.run_cmake(cmake_opts)
171 context.build_target(target=None, keep_going=True)
172 context.build_target(target='check', keep_going=True)
173 context.build_target(target='install')
174 gmxrc_cmd = '. ' + os.path.join(context.workspace.install_dir, 'bin', 'GMXRC')
175 context.env.run_env_script(gmxrc_cmd)
176 cmd = [os.path.join(regressiontests_path, 'gmxtest.pl'), '-nosuffix', 'all']
179 if context.opts.double:
181 if context.opts.mdrun_only:
182 cmd += ['-mdrun', 'mdrun']
183 context.run_cmd(cmd, failure_message='Regression tests failed to execute')
184 # TODO: Add testing for building the template.
185 # TODO: Generalize the machinery here such that it can easily be used
186 # also for non-release builds.
188 context.build_target(target='tests', keep_going=True)
190 context.run_ctest(args=['--output-on-failure', '--label-exclude', 'SlowTest'], memcheck=context.opts.asan)
192 context.build_target(target='install')
193 # TODO: Consider what could be tested about the installed binaries.
195 if not context.opts.mdrun_only:
196 context.env.prepend_path_env(os.path.join(context.workspace.build_dir, 'bin'))
197 context.chdir(regressiontests_path)
199 use_tmpi = not context.opts.mpi and context.opts.thread_mpi is not False
201 cmd = 'perl gmxtest.pl -mpirun mpirun -xml -nosuffix all'
203 # setting this stuff below is just a temporary solution,
204 # it should all be passed as a proper the runconf from outside
205 # The whole mechanism should be rethought in #1587.
208 elif context.opts.openmp:
209 # OpenMP should always work when compiled in! Currently not set if
213 if context.opts.gpu_id:
214 cmd += ' -gpu_id ' + context.opts.gpu_id
216 if context.opts.nranks:
217 nranks = context.opts.nranks
221 if context.opts.npme:
222 cmd += ' -npme ' + context.opts.npme
225 cmd += ' -np ' + nranks
227 cmd += ' -nt ' + nranks
228 if context.opts.double:
230 if context.opts.asan:
231 context.env.set_env_var('ASAN_OPTIONS', 'detect_leaks=0')
232 context.run_cmd(cmd, shell=True, failure_message='Regression tests failed to execute')