From c0d71f75c1c170d98b72cd93059465140f3ee79a Mon Sep 17 00:00:00 2001 From: Qiming Sun Date: Tue, 31 Oct 2023 09:29:53 -0700 Subject: [PATCH] Add 4th order XC deriv in CI job --- .github/workflows/ci_linux/build_pyscf.sh | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/ci_linux/build_pyscf.sh b/.github/workflows/ci_linux/build_pyscf.sh index e33ab6f09c..04e2aac97b 100755 --- 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