From 0e534a9438c1cb0fde09f033bc7479a86392f518 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?= <2794580162@qq.com> Date: Thu, 25 Sep 2025 10:18:00 +0800 Subject: [PATCH] psi4 --- templates/psi4/1.3.2/data.psi4.arm.cpu.kgcc.config | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/templates/psi4/1.3.2/data.psi4.arm.cpu.kgcc.config b/templates/psi4/1.3.2/data.psi4.arm.cpu.kgcc.config index f4eae511..22bc25e4 100644 --- a/templates/psi4/1.3.2/data.psi4.arm.cpu.kgcc.config +++ b/templates/psi4/1.3.2/data.psi4.arm.cpu.kgcc.config @@ -7,7 +7,7 @@ psi4/1.3.2 https://github.com/psi4/psi4/archive/v1.3.2.tar.gz psi4-1.3.2.tar.gz [DEPENDENCY] set -e set -x - +yum install -y cmake python3-devel pip3 install QCElemental QCEngine deepdiff sudo yum groupinstall "Development Tools" -y pip3 install numpy --upgrade --force-reinstall -- Gitee