2 # This file is part of the GROMACS molecular simulation package.
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33 # the research papers on the package. Check out http://www.gromacs.org.
37 # Policy global variables
38 use_stdlib_through_env_vars = False
40 # These are accessible later in the script, just like other declared
41 # options, via e.g. context.opts.release. Keep these in alphabetical
42 # order for more convenient rebasing
44 'asan': Option.simple,
45 'buildfftw': Option.simple,
46 'clang_cuda': Option.bool,
47 'double': Option.simple,
48 'fftpack': Option.simple,
49 'gpu_id': Option.string,
51 'mdrun-only': Option.simple,
53 'mpiinplace': Option.bool,
54 'npme': Option.string,
55 'nranks': Option.string,
56 'openmp': Option.bool,
57 'reference': Option.simple,
58 'release': Option.simple,
59 'release-with-assert': Option.simple,
60 'release-with-debug-info': Option.simple,
61 'static': Option.simple,
62 'thread-mpi': Option.bool,
64 # The following options cater for testing code in Jenkins that is
65 # currently behind feature flags in master branch.
66 'gpubufferops' : Option.bool,
67 'gpucomm': Option.bool,
68 'gpuupdate': Option.bool,
71 extra_projects = [Project.REGRESSIONTESTS]
73 def do_build(context):
75 cmake_opts['GMX_COMPILER_WARNINGS'] = 'ON'
76 cmake_opts['GMX_DEFAULT_SUFFIX'] = 'OFF'
77 cmake_opts['CMAKE_BUILD_TYPE'] = 'Debug'
78 cmake_opts['GMX_USE_RDTSCP'] = 'DETECT'
80 if not context.opts.msvc and not context.opts.mdrun_only and not context.opts.static:
81 cmake_opts['GMXAPI'] = 'ON'
83 if context.opts.reference:
84 cmake_opts['CMAKE_BUILD_TYPE'] = 'Reference'
85 elif context.opts['release']:
86 cmake_opts['CMAKE_BUILD_TYPE'] = 'Release'
87 elif context.opts['release-with-assert']:
88 cmake_opts['CMAKE_BUILD_TYPE'] = 'RelWithAssert'
89 elif context.opts['release-with-debug-info']:
90 cmake_opts['CMAKE_BUILD_TYPE'] = 'RelWithDebInfo'
91 elif context.opts.asan:
92 cmake_opts['CMAKE_BUILD_TYPE'] = 'ASAN'
93 elif context.opts.tsan:
94 cmake_opts['CMAKE_BUILD_TYPE'] = 'TSAN'
96 if context.opts.static:
97 cmake_opts['BUILD_SHARED_LIBS'] = 'OFF'
100 cmake_opts['CMAKE_TOOLCHAIN_FILE'] = 'Platform/XeonPhi'
102 if context.opts.double:
103 cmake_opts['GMX_DOUBLE'] = 'ON'
105 if context.opts.simd is None:
106 cmake_opts['GMX_SIMD'] = 'None'
108 cmake_opts['GMX_SIMD'] = context.opts.simd
109 if context.opts.cuda or context.opts.opencl:
110 cmake_opts['GMX_GPU'] = 'ON'
111 if context.opts.opencl:
112 context.env.set_env_var('CUDA_PATH', context.env.cuda_root)
113 cmake_opts['GMX_USE_OPENCL'] = 'ON'
115 cmake_opts['CUDA_TOOLKIT_ROOT_DIR'] = context.env.cuda_root
116 if context.opts.clang_cuda:
117 cmake_opts['GMX_CLANG_CUDA'] = 'ON'
119 cmake_opts['CUDA_HOST_COMPILER'] = context.env.cuda_host_compiler
121 cmake_opts['GMX_GPU'] = 'OFF'
122 if context.opts.thread_mpi is False:
123 cmake_opts['GMX_THREAD_MPI'] = 'OFF'
125 cmake_opts['GMX_MPI'] = 'ON'
126 if context.opts.mpiinplace is False:
127 cmake_opts['GMX_MPI_IN_PLACE'] = 'OFF'
128 if context.opts.openmp is False:
129 cmake_opts['GMX_OPENMP'] = 'OFF'
130 if context.opts.tng is False:
131 cmake_opts['GMX_USE_TNG'] = 'OFF'
134 cmake_opts['GMX_FFT_LIBRARY'] = 'mkl'
135 elif context.opts.fftpack:
136 cmake_opts['GMX_FFT_LIBRARY'] = 'fftpack'
137 elif context.opts.buildfftw:
138 cmake_opts['GMX_BUILD_OWN_FFTW'] = 'ON'
139 cmake_opts['GMX_BUILD_OWN_FFTW_URL'] = 'ftp://ftp.gromacs.org/misc/fftw-3.3.8.tar.gz'
140 cmake_opts['GMX_BUILD_OWN_FFTW_MD5'] = '8aac833c943d8e90d51b697b27d4384d'
141 if context.opts.mkl or context.opts.atlas or context.opts.armpl:
142 cmake_opts['GMX_EXTERNAL_BLAS'] = 'ON'
143 cmake_opts['GMX_EXTERNAL_LAPACK'] = 'ON'
144 if context.opts.clFFT:
145 cmake_opts['GMX_EXTERNAL_CLFFT'] = 'ON'
146 cmake_opts['clFFT_ROOT'] = context.env.clFFT_root
148 if context.opts.armpl:
149 cmake_opts['FFTWF_LIBRARY'] = os.path.join(context.env.armpl_dir, 'lib/libarmpl_lp64.so')
150 cmake_opts['FFTWF_INCLUDE_DIR'] = os.path.join(context.env.armpl_dir, 'include')
151 cmake_opts['GMX_BLAS_USER'] = os.path.join(context.env.armpl_dir, 'lib/libarmpl_lp64.so')
152 cmake_opts['GMX_LAPACK_USER'] = os.path.join(context.env.armpl_dir, 'lib/libarmpl_lp64.so')
154 if context.opts.hwloc is False:
155 cmake_opts['GMX_HWLOC'] = 'OFF'
156 elif context.opts.hwloc is True:
157 cmake_opts['GMX_HWLOC'] = 'ON'
159 cmake_opts['GMX_HWLOC'] = 'AUTO'
161 if context.opts.tng is False:
162 cmake_opts['GMX_USE_TNG'] = 'OFF'
165 cmake_opts['GMX_X11'] = 'ON'
167 if context.opts.tidy:
168 cmake_opts['GMX_CLANG_TIDY'] = 'ON'
169 cmake_opts['CLANG_TIDY'] = context.env.cxx_compiler.replace("clang++", "clang-tidy")
171 # At least hwloc on Jenkins produces a massive amount of reports about
172 # memory leaks, which cannot be reasonably suppressed because ASAN cannot
173 # produce a reasonable stack trace for them.
174 if context.opts.asan:
175 cmake_opts['GMX_HWLOC'] = 'OFF'
177 if context.opts.gpubufferops:
178 context.env.set_env_var('GMX_USE_GPU_BUFFER_OPS', "1")
180 # GPU comm flag enables both DD and PP-PME comm as well as buffer ops (hard dependency)
181 if context.opts.gpucomm:
182 context.env.set_env_var('GMX_USE_GPU_BUFFER_OPS', "1")
183 context.env.set_env_var('GMX_GPU_DD_COMMS', "1")
184 context.env.set_env_var('GMX_GPU_PME_PP_COMMS', "1")
186 # GPU update flag enables GPU update+constraints as well as buffer ops (dependency)
187 if context.opts.gpuupdate:
188 context.env.set_env_var('GMX_USE_GPU_BUFFER_OPS', "1")
189 context.env.set_env_var('GMX_FORCE_UPDATE_DEFAULT_GPU', "1")
191 regressiontests_path = context.workspace.get_project_dir(Project.REGRESSIONTESTS)
193 if context.job_type == JobType.RELEASE:
194 cmake_opts['REGRESSIONTEST_PATH'] = regressiontests_path
196 if context.opts.mdrun_only:
197 cmake_opts['GMX_BUILD_MDRUN_ONLY'] = 'ON'
199 # The build configuration has constructed the environment of the
200 # context so that a particular c++ standard library can be used,
201 # which may come from a different installation of gcc. Here, we
202 # tell CMake how to react to this.
204 # TODO Once gerrit 9051 and 9053 are both submitted on master,
205 # remove the hasattr part of the predicate, which will then be
207 if hasattr(context.env, 'gcc_exe') and context.env.gcc_exe is not None:
208 cmake_opts['GMX_GPLUSPLUS_PATH'] = context.env.gcc_exe
209 # TODO are these needed?
210 # gcc_exe_dirname = os.path.dirname(self.gcc_exe)
211 # gcc_toolchain_path = os.path.join(gcc_exe_dirname, '..')
212 # format_for_linker_flags="-Wl,-rpath,{gcctoolchain}/lib64 -L{gcctoolchain}/lib64"
213 # cmake_opts['CMAKE_CXX_LINK_FLAGS'] = format_for_linker_flags.format(gcctoolchain=gcc_toolchain_path)
215 context.env.set_env_var('GMX_NO_TERM', '1')
217 context.run_cmake(cmake_opts)
218 context.build_target(target=None, keep_going=True)
220 # TODO: Consider if it would be better to split this into a separate build
221 # script, since it is somewhat different, even though it benefits from some
222 # of the same build options.
223 if context.job_type == JobType.RELEASE:
224 context.build_target(target='check', keep_going=True)
225 context.build_target(target='install')
226 if context.opts.mdrun_only:
227 context.workspace.clean_build_dir()
228 cmake_opts['REGRESSIONTEST_PATH'] = None
229 cmake_opts['GMX_BUILD_MDRUN_ONLY'] = 'ON'
230 context.run_cmake(cmake_opts)
231 context.build_target(target=None, keep_going=True)
232 context.build_target(target='check', keep_going=True)
233 context.build_target(target='install')
234 gmxrc_cmd = '. ' + os.path.join(context.workspace.install_dir, 'bin', 'GMXRC')
235 context.env.run_env_script(gmxrc_cmd)
236 cmd = [os.path.join(regressiontests_path, 'gmxtest.pl'), '-nosuffix', 'all']
239 if context.opts.double:
241 if context.opts.mdrun_only:
242 cmd += ['-mdrun', 'mdrun']
243 context.run_cmd(cmd, failure_message='Regression tests failed to execute')
244 # TODO: Add testing for building the template.
245 # TODO: Generalize the machinery here such that it can easily be used
246 # also for non-release builds.
248 context.build_target(target='tests', keep_going=True)
250 context.run_ctest(args=['--output-on-failure', '--label-exclude', 'SlowTest'], memcheck=context.opts.asan)
252 context.build_target(target='install')
253 # TODO: Consider what could be tested about the installed binaries.
255 if not context.opts.mdrun_only:
256 context.env.prepend_path_env(os.path.join(context.workspace.build_dir, 'bin'))
257 context.chdir(regressiontests_path)
259 use_tmpi = not context.opts.mpi and context.opts.thread_mpi is not False
261 cmd = 'perl gmxtest.pl -mpirun mpirun -xml -nosuffix all'
263 # setting this stuff below is just a temporary solution,
264 # it should all be passed as a proper the runconf from outside
265 # The whole mechanism should be rethought in #1587.
268 elif context.opts.openmp:
269 # OpenMP should always work when compiled in! Currently not set if
273 if context.opts.gpuhw == Gpuhw.NONE:
274 context.env.set_env_var('GMX_DISABLE_GPU_DETECTION', '1')
276 if context.opts.gpu_id:
277 cmd += ' -gpu_id ' + context.opts.gpu_id
279 if context.opts.nranks:
280 nranks = context.opts.nranks
284 if context.opts.npme:
285 cmd += ' -npme ' + context.opts.npme
288 cmd += ' -np ' + nranks
290 cmd += ' -nt ' + nranks
291 if context.opts.double:
293 if context.opts.asan:
294 context.env.set_env_var('ASAN_OPTIONS', 'detect_leaks=0')
295 context.run_cmd(cmd, shell=True, failure_message='Regression tests failed to execute')