Add 4th order XC deriv in CI job

sunqm · Oct 31, 2023 · c0d71f7 · c0d71f7
1 parent 14404bf
commit c0d71f7
Showing 1 changed file with 1 addition and 1 deletion.
diff --git a/.github/workflows/ci_linux/build_pyscf.sh b/.github/workflows/ci_linux/build_pyscf.sh
@@ -5,7 +5,7 @@ set -e
 cd ./pyscf/lib
 curl -L "https://github.com/pyscf/pyscf-build-deps/blob/master/pyscf-2.4a-deps.tar.gz?raw=true" | tar xzf -
 mkdir build; cd build
-cmake -DBUILD_LIBXC=OFF -DBUILD_XCFUN=OFF -DBUILD_LIBCINT=OFF ..
+cmake -DBUILD_LIBXC=OFF -DBUILD_XCFUN=OFF -DBUILD_LIBCINT=OFF -DXCFUN_MAX_ORDER=4 ..
 make -j4
 cd ..
 rm -Rf build