Metadata-Version: 2.1
Name: flare_pp
Version: 0.0.9
Summary: Many-body extension of the flare code
Home-page: https://github.com/mir-group/flare_pp
Author: Materials Intelligence Research
Author-email: mir@g.harvard.edu
License: MIT
Description: ![build](https://github.com/mir-group/flare_pp/actions/workflows/main.yml/badge.svg)
        
        # flare++
        Documentation can be accessed [here](https://mir-group.github.io/flare_pp/).
        
        ## Usage
        
        If compiling on Cannon, run the following:
        ```
        module load cmake/3.17.3-fasrc01
        module load python/3.6.3-fasrc01
        module load gcc/9.3.0-fasrc01
        ```
        
        And set the following environment variables (to link Eigen to MKL):
        ```
        export MKL_INCLUDE=/n/sw/intel-cluster-studio-2019/mkl/include
        export MKL_ROOT=/n/sw/intel-cluster-studio-2019/mkl/lib/intel64_lin
        export MKL_INT=$MKL_ROOT/libmkl_intel_lp64.so
        export MKL_THREAD=$MKL_ROOT/libmkl_gnu_thread.so
        export MKL_CORE=$MKL_ROOT/libmkl_core.so
        export MKL_AVX=$MKL_ROOT/libmkl_avx512.so
        export MKL_DEF=$MKL_ROOT/libmkl_def.so
        export MKL_VML=$MKL_ROOT/libmkl_vml_avx512.so
        export MKL_LIBS="$MKL_CORE;$MKL_INT;$MKL_THREAD;$MKL_AVX;$MKL_DEF;$MKL_VML"
        ```
        
Platform: UNKNOWN
Classifier: License :: OSI Approved :: MIT License
Classifier: Topic :: Scientific/Engineering :: Physics
Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
Classifier: Development Status :: 4 - Beta
Requires-Python: >=3.6
Description-Content-Type: text/markdown
