Skip to content

Commit

Permalink
Update README.md
Browse files Browse the repository at this point in the history
  • Loading branch information
ifilot authored Aug 10, 2024
1 parent 5ad45f6 commit 144878c
Showing 1 changed file with 8 additions and 2 deletions.
10 changes: 8 additions & 2 deletions README.md
Original file line number Diff line number Diff line change
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 @@ -33,6 +35,9 @@ make -j9
```

### For Apple Silicon

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

```
brew install make gcc cmake cppunit
```
Expand All @@ -50,9 +55,10 @@ mkdir build && cd build
cmake -DCMAKE_CXX_FLAGS="-I/opt/homebrew/opt/cppunit/include" ../src
make -j9
```
## Testing


To test the compilation, run
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
Expand Down

0 comments on commit 144878c

Please sign in to comment.