Faster distance calculations for the year 2020 🚀 🚀 🚀
Documentation can be found at https://www.mdanalysis.org/distopia/
To build:
mkdir build
cd build
cmake ..
make
or with Ninja:
mkdir build
cd build
cmake .. -GNinja
ninja
To run the tests:
make test
or with Ninja:
ninja test
To control the instruction set use one the following CMake flags
-DDISTOPIA_USE_SSE1
for SSE-DDISTOPIA_USE_SSE2
for SSE2-DDISTOPIA_USE_SSE3
for SSE3-DDISTOPIA_USE_SSSE3
for SSSE3-DDISTOPIA_USE_SSE4_1
for SSE4.1-DDISTOPIA_USE_SSE4_2
for SSE4.2-DDISTOPIA_USE_AVX
for AVX-DDISTOPIA_USE_AVX2
for AVX2
Or you can let distopia choose for you (default)
To benchmark methods (from ./build
) run the benchmarks binary:
./benchmarks
Distopia's documentation is made with breathe using a combination of Doxygen and Sphinx To build the docs, go to the doc directory and:
doxygen
make html
then point your browser to the generated documentation.
To assess code coverage build with cmake -DDISTOPIA_COVERAGE=ON
and use either make or ninja to build the coverage targets tests_coverage
or test_kernels_coverage
. You can then view the resulting HTML gcovr coverage reports in your favourite browser.