From a18c3847c7d539e4370ca4f2b3e45bd51048cb92 Mon Sep 17 00:00:00 2001 From: =?UTF-8?q?=E9=AB=98=E6=96=87=E5=B0=A7?= <18848977154@163.com> Date: Fri, 19 Dec 2025 14:35:06 +0800 Subject: [PATCH] pyrosetta --- templates/PyRosetta/4/pyrosetta4.aarch64.py39.config | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/templates/PyRosetta/4/pyrosetta4.aarch64.py39.config b/templates/PyRosetta/4/pyrosetta4.aarch64.py39.config index 5953645e..7660ee66 100644 --- a/templates/PyRosetta/4/pyrosetta4.aarch64.py39.config +++ b/templates/PyRosetta/4/pyrosetta4.aarch64.py39.config @@ -9,8 +9,8 @@ module purge ./jarvis -install hpckit/${HPCKIT_VERSION} any module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module load bisheng/compiler${BISHENG_VERSION}/bishengmodule - ./jarvis -install python3/3.9.9 bisheng +module use ./software/moduledeps/bisheng4.2.0.2 module load python3/3.9.9 tar -jxvf ${JARVIS_DOWNLOAD}/PyRosetta4.Release.python39.aarch64.release-342.tar.bz2 -C ${JARVIS_TMP_DOWNLOAD} @@ -20,7 +20,7 @@ mv ${JARVIS_TMP_DOWNLOAD}/PyRosetta4.Release.python39.aarch64.release-342 ${JARV module purge module use ./software/utils/hpckit/${HPCKIT_VERSION}/HPCKit/${HPCKIT_VERSION}/modulefiles module load bisheng/compiler${BISHENG_VERSION}/bishengmodule - +module use ./software/moduledeps/bisheng4.2.0.2 module load python3/3.9.9 [APP] @@ -39,3 +39,4 @@ pip3 uninstall pyrosetta -y run = python3 binary = T000_Imports.py nodes = 1 + -- Gitee