diff --git a/README.md b/README.md index e4ebc7a..2222937 100644 --- a/README.md +++ b/README.md @@ -1,201 +1,209 @@ UVW - Universal VTK Writer ========================== UVW is a small utility library to write VTK files from data contained in Numpy arrays. It handles fully-fledged `ndarrays` defined over {1, 2, 3}-d domains, with arbitrary number of components. There are no constraints on the particular order of components, although copy of data can be avoided if the array is Fortran contiguous, as VTK files are written in Fortran order. Future developments will include multi-process write support. ## Getting Started Here is how to install and use `uvw`. ### Prerequisites * Python 3. It may work with python 2, but it hasn't been tested. * [Numpy](http://www.numpy.org/). This code has been tested with Numpy version 1.14.3. * [mpi4py](https://mpi4py.readthedocs.io/en/stable/) only if you wish to use the parallel classes of UVW (i.e. the submodule `uvw.parallel`) ### Installing This library can be installed with `pip`: ``` pip install --user uvw ``` +If you want to activate parallel capabilities, run: + +``` +pip install --user uvw[mpi] +``` + +which will automatically pull `mpi4py` as a dependency. + ### Writing Numpy arrays As a first example, let us write a multi-component numpy array into a rectilinear grid: ```python import numpy as np from uvw import RectilinearGrid, DataArray # Creating coordinates x = np.linspace(-0.5, 0.5, 10) y = np.linspace(-0.5, 0.5, 20) z = np.linspace(-0.9, 0.9, 30) # Creating the file grid = RectilinearGrid('grid.vtr', (x, y, z)) # A centered ball x, y, z = np.meshgrid(x, y, z, indexing='ij') r = np.sqrt(x**2 + y**2 + z**2) ball = r < 0.3 # Some multi-component multi-dimensional data data = np.zeros([10, 20, 30, 3, 3]) data[ball, ...] = np.array([[0, 1, 0], [1, 0, 0], [0, 1, 1]]) # Some cell data cell_data = np.zeros([9, 19, 29]) cell_data[0::2, 0::2, 0::2] = 1 # Adding the point data (see help(DataArray) for more info) grid.addPointData(DataArray(data, range(3), 'ball')) # Adding the cell data grid.addCellData(DataArray(cell_data, range(3), 'checkers')) grid.write() ``` UVW also supports writing data on 2D and 1D physical domains, for example: ```python import sys import numpy as np from uvw import RectilinearGrid, DataArray # Creating coordinates x = np.linspace(-0.5, 0.5, 10) y = np.linspace(-0.5, 0.5, 20) # A centered disk xx, yy = np.meshgrid(x, y, indexing='ij') r = np.sqrt(xx**2 + yy**2) R = 0.3 disk = r < R data = np.zeros([10, 20]) data[disk] = np.sqrt(1-(r[disk]/R)**2) # File object can be used as a context manager # and you can write to stdout! with RectilinearGrid(sys.stdout, (x, y)) as grid: grid.addPointData(DataArray(data, range(2), 'data')) ``` ## Writing in parallel with `mpi4py` The classes contained in the `uvw.parallel` submodule support multi-process writing using `mpi4py`. Here is a code example: ```python import numpy as np from mpi4py import MPI from uvw.parallel import PRectilinearGrid from uvw import DataArray comm = MPI.COMM_WORLD rank = comm.Get_rank() N = 20 # Domain bounds per rank bounds = [ {'x': (-2, 0), 'y': (-2, 0)}, {'x': (-2, 0), 'y': (0, 2)}, {'x': (0, 2), 'y': (-2, 2)}, ] # Domain sizes per rank sizes = [ {'x': N, 'y': N}, {'x': N, 'y': N}, {'x': N, 'y': 2*N-1}, # account for overlap ] # Size offsets per rank offsets = [ [0, 0], [0, N], [N, 0], ] x = np.linspace(*bounds[rank]['x'], sizes[rank]['x']) y = np.linspace(*bounds[rank]['y'], sizes[rank]['y']) xx, yy = np.meshgrid(x, y, indexing='ij', sparse=True) r = np.sqrt(xx**2 + yy**2) data = np.exp(-r**2) # Indicating rank info with a cell array proc = np.ones((x.size-1, y.size-1)) * rank with PRectilinearGrid('pgrid.pvtr', (x, y), offsets[rank]) as rect: rect.addPointData(DataArray(data, range(2), 'gaussian')) rect.addCellData(DataArray(proc, range(2), 'proc')) ``` As you can see, using `PRectilinearGrid` feels just like using `RectilinearGrid`, except that you need to supply the position of the local grid in the global grid numbering (the `offsets[rank]` in the above example). Note that RecilinearGrid VTK files need an overlap in point data, hence why the global grid size ends up being `(2*N-1, 2*N-1)`. If you forget that overlap, Paraview (or another VTK-based software) may complain that some parts in the global grid (aka "extents" in VTK) are missing data. ## List of features Here is a list of what is available in UVW: ### VTK file formats - Image data (`.vti`) - Rectilinear grid (`.vtr`) - Structured grid (`.vts`) ### Data representation - ASCII - Base64 (uncompressed) ### Planned developments Here is a list of future developments: - [x] Image data - [ ] Unstructured grid - [x] Structured grid - [x] Parallel writing (`mpi4py`-enabled `PRectilinearGrid` *is now available!*) - [ ] Benchmarking + performance comparison with [pyevtk](https://bitbucket.org/pauloh/pyevtk) ## Developing These instructions will get you a copy of the project up and running on your local machine for development and testing purposes. ### Git repository First clone the git repository: ``` -git clone https://c4science.ch/source/uvw.git +git clone https://github.com/prs513rosewood/uvw.git ``` Then you can use pip in development mode (possibly in [virtualenv](https://virtualenv.pypa.io/en/stable/)): ``` -pip install --user -e . +pip install --user -e .[mpi,tests] ``` ## Running the tests The tests can be run using [pytest](https://docs.pytest.org/en/latest/): ``` -cd tests; pytest +cd tests; mpiexec -n 2 pytest --with-mpi ``` ## License This project is licensed under the MIT License - see the LICENSE.md file for details. ## Acknowledgments * [@PurpleBooth](https://github.com/PurpleBooth)'s [README-Template](https://gist.github.com/PurpleBooth/109311bb0361f32d87a2) diff --git a/setup.py b/setup.py index 754cdf5..72559f1 100644 --- a/setup.py +++ b/setup.py @@ -1,24 +1,28 @@ import setuptools with open("README.md", "r") as fh: long_description = fh.read().replace('lang=', '') setuptools.setup( name="uvw", - version="0.0.7", + version="0.1.0", author="Lucas Frérot", - author_email="lucas.frerot@epfl.ch", + author_email="lucas.frerot@protonmail.com", description="Universal VTK Writer", long_description=long_description, long_description_content_type="text/markdown", url="https://github.com/prs513rosewood/uvw", packages=setuptools.find_packages(), install_requires=['numpy'], + extras_require={ + "mpi": ['mpi4py'], + "tests": ['pytest', 'pytest-mpi', 'mpi4py'], + }, classifiers=( "Programming Language :: Python :: 3", "License :: OSI Approved :: MIT License", "Operating System :: OS Independent", "Topic :: Scientific/Engineering :: Visualization", "Intended Audience :: Science/Research", ) )