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Added compilation guide for Apple Silicon to README.md. #9

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Aug 10, 2024
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Added compilation guide for Apple Silicon to README.md. #9

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Added compilation guide for Apple Silicon to README.md.
hangeogal Aug 6, 2024
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Update README.md
ifilot Aug 10, 2024
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28 changes: 27 additions & 1 deletion README.md
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Expand Up @@ -20,6 +20,8 @@ sets STO-3G and STO-6G are included for atoms up to N=8 (oxygen).

## Compilation

### Linux

Ensure you have all the required packages installed

```
Expand All @@ -32,7 +34,31 @@ cmake ../src
make -j9
```

To test the compilation, run
### For Apple Silicon

Install the compilation toolchain via [brew](https://brew.sh/).

```
brew install make gcc cmake cppunit
```

You also have to make sure that you have xCode installed

```
xcode-select --install
```

Packages are located in a different folder compared to linux

```
mkdir build && cd build
cmake -DCMAKE_CXX_FLAGS="-I/opt/homebrew/opt/cppunit/include" ../src
make -j9
```
## Testing

After compilation, you can test the `hfccc` executable by running the
test suite.

> **Note**: The testsuite contains a HF calculation of benzene using the
> STO-6g basis set. Since HFCXX is not optimized for speed, running the
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