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Update documentation on compilation

This commit is contained in:
Atsushi Togo 2022-04-11 09:11:20 +09:00
parent ea30ebab3c
commit 164c762c5a
1 changed files with 26 additions and 3 deletions
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doc/install.md
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@ -49,15 +49,38 @@ is:
extra_compile_args = -fopenmp
```
A basic example to add include directories and openmp flags would be:
Additional configuration can be necessary. It is recommended first starting only
with `extra_compile_args = -fopenmp` and run `setup.py`, then check if phono3py
works properly or not without error or warning. When phono3py doesn't work with
the above setting, add another configuration one by one to test compilation.
With conda-forge packages, at 11th Apr. 2022, the following configuration
worked.
With MKL (for gcc and clang), `site.cfg`
```
[phono3py]
include_dirs = /opt/lapack/include
extra_compile_args = -fopenmp
extra_link_args = -fopenmp
```
With openblas and clang
```
[phono3py]
extra_compile_args = -fopenmp
```
With openblas and gcc
```
[phono3py]
extra_compile_args = -fopenmp
extra_link_args = -lgomp
```
Mind that these configurations can be outdated instantly by the change of the
conda-forge packages.
More detailed information about `site.cfg` customization is found at
https://github.com/numpy/numpy/blob/main/site.cfg.example.