From 11f9909ef6f0730fdf270000ac77c0b597bc162f Mon Sep 17 00:00:00 2001 From: Paul Kent Date: Sat, 18 Jul 2026 19:39:45 -0400 Subject: [PATCH] Use PySCF 2.14.0 --- .../containers/Dockerfile_gcc_mpi_develop_complete | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/tests/test_automation/containers/Dockerfile_gcc_mpi_develop_complete b/tests/test_automation/containers/Dockerfile_gcc_mpi_develop_complete index b39b1ecfae..f148b18f97 100644 --- a/tests/test_automation/containers/Dockerfile_gcc_mpi_develop_complete +++ b/tests/test_automation/containers/Dockerfile_gcc_mpi_develop_complete @@ -4,7 +4,7 @@ LABEL Description="Development version of QMCPACK and Nexus configured for use w SHELL ["/bin/bash", "-c"] ENV QE_VERSION="7.6" -ENV PYSCF_VERSION=2.13.1 +ENV PYSCF_VERSION=2.14.0 #ENV QMCPACK_VERSION="4.3.0" ARG USERNAME=qmcuser