qdyn.testing module

Auxilliary routines for testing either the QDYN python package or the QDYN Fortran library

Summary

Functions:

datadir	Proto-fixture responsible for searching a folder with the same name as a test module and, if available, moving all contents to a temporary directory so tests can use them freely.
get_mpi_implementation	Return the name of the MPI implementation that QDYN was configured with (e.g.
get_qdyn_compiler	Return the name the Fortran compiler that QDYN was compiled with
make_qdyn_utility	Generate a proto-fixture to wrap around the tiven util.
mpirun	Return a modified cmd that runs the given cmd (list) using MPI.
qdyn_feature	Check whether QDYN was configured with the given feature (e.g.

Reference

qdyn.testing.qdyn_feature(configure_log, feature)

Check whether QDYN was configured with the given feature (e.g. ‘use_mpi’, ‘no-parallel-oct’, ect), given the path to configure.log

qdyn.testing.get_mpi_implementation(configure_log)

Return the name of the MPI implementation that QDYN was configured with (e.g. ‘openmpi’, or None if QDYN was compiled without MPI support

qdyn.testing.get_qdyn_compiler(configure_log)

Return the name the Fortran compiler that QDYN was compiled with

qdyn.testing.mpirun(cmd, procs=1, implementation='openmpi', hostfile=None)

Return a modified cmd that runs the given cmd (list) using MPI.

If hostfile is given, it will be overwritten and used in such a manner as to force the use of the given number of processes.

Parameters

• cmd (list) – list of command args, cf. subprocess.run

• procs (int) – Number of MPI processes that should be used

• implementation (str) – name of MPI implementation

• hostfile (str) – Path to file that should be used as a “hostfile”, forcing MPI to use the specified number of processes even if the MPI environment would not ordinarily allow for it.

qdyn.testing.datadir(tmpdir, request)

Proto-fixture responsible for searching a folder with the same name as a test module and, if available, moving all contents to a temporary directory so tests can use them freely.

qdyn.testing.make_qdyn_utility(util='qdyn_prop_traj', procs=1, threads=1)

Generate a proto-fixture to wrap around the tiven util.

Returns a callable that takes any numer of positional args and any number of kwargs, such that calling it is equivalent to

subprocess.run([cmd, *args], **kwargs)

where cmd is the absolute path of the compiled QDYN utility (in the utils subfolder of the project root, found by traversing up from the directory in which the test is defined).

If procs > 1 and QDYN was compiled with MPI support, then cmd will be mpirun (or an equivalent suitable MPI runner based on how QDYN was compiled), to run procs simultaneous copies of the util. If threads is > 1, the program will run with multiple OpenMP threads, by setting the OMP_NUM_THREADS environment variable.

The util will also use the development units file by setting QDYN_UNITS to the units_file folder in the project root.