diff --git a/source/user/install.md b/source/user/install.md index 5199db880..72049f42c 100644 --- a/source/user/install.md +++ b/source/user/install.md @@ -24,7 +24,7 @@ PySCF via pip, you can upgrade it to the new version, pip install --upgrade pyscf ``` -:::{note} +:::{seealso} Newly introduced features are available in the [pyscf-forge](https://github.com/pyscf/pyscf-forge) package, which can be installed with `pip`, @@ -355,6 +355,7 @@ This can be solved by preloading the MKL core library, ```bash export LD_PRELOAD=$MKLROOT/lib/intel64/libmkl_avx.so:$MKLROOT/lib/intel64/libmkl_core.so ``` +::: ### Using the Qcint optimized integral library @@ -365,8 +366,10 @@ computing systems. However, on x86-64 platforms, libcint has a more efficient counterpart, [Qcint](https://github.com/sunqm/qcint), which is heavily optimized with x86 SIMD instructions (AVX-512/AVX2/AVX/SSE3). To replace the default libcint library with the qcint library, edit the -URL of the integral library in lib/CMakeLists.txt file, -```bash +URL of the integral library in `lib/CMakeLists.txt` file, +```{code-block} bash +:caption: lib/CMakeLists.txt + ExternalProject_Add(libcint GIT_REPOSITORY https://github.com/sunqm/qcint.git