A CLI to automate mundane tasks with Idefix
Project description
idefix_cli
This is a CLI helper tool for the hexascale portable MHD code Idefix, written by Geoffroy Lesur et al.
It provides a family of commands to help with repetitive tasks such as configuration and cleanup in a single tool.
Installation
It is recommended to install this tool in isolation with pipx as
$ pipx install idefix_cli
Otherwise, the way to install the latest stable version is
$ python3 -m pip install -u idefix_cli
Note that most idfx commands explicitly require that the env variable $IDEFIX_DIR be
set at runtime.
Internal documentation
The following contains usage examples. Get a complete description of available options with
$ idfx --help
Likewise, get help for each command therein as, for instance
$ idfx run --help
Commands
idfx clone
Clone an idefix problem directory by copying the main source files
(definitions.hpp, setup.cpp, idefix.ini).
$ idfx clone $IDEFIX_DIR/test/HD/KHI/ /tmp/myKHI
More
Instead of making hard copies, files can be symbolically linked to instead of copied, with `--shallow`.Additional files may be included in the clone using the --extra argument. They
can be specified either by name or POSIX pattern, e.g.
$ idfx clone $IDEFIX_DIR/test/HD/KHI/ /tmp/myKHI --extra *.log
idfx conf
idfx conf is a unified wrapper for cmake and the historical Python script
$IDEFIX_DIR/configure.py. All arguments and flags are passed down to the
relevant configuration system.
Arguments that were originally implemented in
$IDEFIX_DIR/configure.py (-mhd, -mpi, -openmp, -cxx, -arch, -gpu)
are converted on the fly for cmake.
For instance
$ idfx conf -gpu -mpi -openmp -arch Ampere86 -cxx g++
is equivalent to
$ cmake $IDEFIX_DIR \
-DKokkos_ENABLE_CUDA=ON \
-DIdefix_MPI=ON \
-DKokkos_ENABLE_OPENMP=ON \
-DKokkos_ARCH_AMPERE86=ON \
-DCMAKE_CXX_COMPILER=g++
Persistent, sytem wide configuration file
Some configuration options like prefered compiler and target architecture rarely
need to be changed on a single maching. idfx conf follows the last version of
$IDEFIX_DIR/configure.py and looks for persistent options stored in
$HOME/.config/idefix.cfg.
For instance, one can select a persistent build target (say Ampere86) and custom compiler as
# idefix.cfg
[compilation]
GPU = Ampere86
compiler = g++
A prefered conf system can also be store as
# idefix.cfg
[idefix_cli]
conf_system = python # use configure.py
# or
conf_system = cmake
though this is mostly useful for testing purposes. In general idfx conf
automatically determine which configuration system to use based on your
resources. Cmake is prefered over Python when available.
Any option passed on the command line will override its equivalent persistent configuration.
Lastly, it is possible invoke ccmake instead of cmake by passing the
-i/--interactive flag to idfx conf
idfx run
idfx run performs a simulation. It is mostly useful
run tests problems sequentially for very short periods.
Note that this command will fail if neither idefix or Makefile are found in the
specified directory. In case only the Makefile is present, this command will compile the
program first.
idfx runis not a complete wrapper around theidefixexecutable. This means that if you need to pass additional arguments toidefixother than-i, you should run it directly.
minimal example: run a test sequentially
$ idfx run $IDEFIX_DIR/test/HD/KHI
The default behaviour is to use idefix.ini contained in the specified directory. If you
want to run a different one, use -i/--inifile
$ idfx run . -i myconf.ini
Note that idfx run looks for the inifile relative to the cwd, and then relative to
the specified directory.
running a shorter version of a problem
Use the --duration and --time-step arguments to run a modified version of a base
inifile.
$ idfx run . --duration 1e-4
Note that --time-step maps to Idefix's inifile TimeIntegrator.first_dt.
Use --one-step/--one to run a single time step (total simulation time equates to the
first time step).
The length of the time step can be adjusted in combination with --time-step, however,
--one-step is incompatible with --duration.
$ idfx run . --one
is a shortcut for
$ idfx run . --duration x --time-step x
where x, is the existing value found in the inifile.
idfx clean
Removes intermediate compilation files (*.o, *.host, *.cuda) as well as
CMake cache files and directories
$ idfx clean .
This command will print a list of purgable files, and will not remove anything without confirmation.
To also remove Makefile, idefix executables, use the --all flag
$ idfx clean . --all
Use the --dry-run/--dry flag to skip the prompt and only display the list of
purgeable items, without actually deleting anything.
idfx stamp
Prints key data for reproduction and development to stdout.
$ idfx stamp
v0.5
daff799bb64b0993f058f50779873d594376d5bf
lesurg
f-dahu
Sat Jan 16 16:15:28 2021
More
This command is roughly equivalent (and slightly more portable) to
$ cd $IDEFIX_DIR \
&& git describe --tags \
&& cd - > /dev/null \
&& date \
&& hostname \
&& echo $USER
Additionnally, one can get the underlying data in json-serializable format
$ idfx stamp --json
{
"tag": "v0.5",
"sha": "daff799bb64b0993f058f50779873d594376d5bf",
"user": "glesur",
"host": "f-dahu",
"date": "Sat Jan 16 16:15:54 2021"
}
This is helpful to quickly store important metadata next to one's datafiles. The git tag may be of critical value for reproductability, especially when bugs in Idefix are found after simulations are run, like so
$ idfx stamp --json > metadata.json
IO operations for inifiles
idfx read
Read an Idefix inifile and print the resulting dictionnary to stdout in a json parsable format. This is useful to inspect inifiles programatically in combination with tools like jq
$ idfx read $IDEFIX_DIR/test/HD/KHI/idefix.ini | jq '.Output.vtk' --compact-output
[0.01,-1,"single_file"]
By default, the ouptut of idfx read is flat. Optionnaly, you can use --indent <N> to
improve human-readability.
idfx write
Conversely, idfx write converts from json formatted strings to Idefix inifile format
$ idfx write save.ini $(cat save.json)
arbitrary patching
idfx read and idfx write methods can be combined with jq to arbitrarily patch an inifile
$ idfx read test/HD/KHI/idefix.ini | jq .TimeIntegrator.CFL=1e6 | idfx write idefix_patched.ini
Contribution guidelines
We use the pre-commit framework to automatically lint for code style and common pitfals.
Before you commit to your local copy of the repo, please run this from the top level
$ python3 -m pip install -u -e .[dev]
$ pre-commit install
Testing
We use the pytest framework to test idfx's
internal components. The test suite can be run from the top level with a simple pytest
invocation.
$ pytest
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