From 68f7ecbf2dd2c961662b055c55e37e2ddaad5f95 Mon Sep 17 00:00:00 2001
From: root <root@DESK4090>
Date: Thu, 17 Oct 2024 09:45:10 +0800
Subject: [PATCH] update

---
 Dockerfile.gromacs_amber | 6 +++---
 1 file changed, 3 insertions(+), 3 deletions(-)

diff --git a/Dockerfile.gromacs_amber b/Dockerfile.gromacs_amber
index c0cdb39..7c4e525 100755
--- a/Dockerfile.gromacs_amber
+++ b/Dockerfile.gromacs_amber
@@ -67,14 +67,14 @@ COPY ./file/modules-5.4.0.tar.gz /root
 # usage: https://nscc.mrzhenggang.com/user-manual/config-env-with-module
 RUN <<EOT
 #!/bin/bash
-# apt-get update && apt-get install -y tcl
+apt-get update && apt-get install -y tcl
 tar zxvf modules-5.4.0.tar.gz
 cd modules-5.4.0
 # ./configure --prefix=/opt/modules --bindir=/opt/modules/bin --libdir=/opt/modules/lib --with-tclsh=/usr/bin/tclsh
 ./configure --prefix=/opt/modules --bindir=/opt/modules/bin --libdir=/opt/modules/lib --disable-libtclenvmodules
 make -j$(nproc)
 make install
-/opt/modules/bin/modulecmd --version
+# /opt/modules/bin/modulecmd
 EOT
 
 ARG FFTW_VERSION="3.3.10"
@@ -211,7 +211,7 @@ EOT
 
 COPY file/Amber24.tar.bz2 file/AmberTools24.tar.bz2 /root
 COPY file/l_HPCKit_p_2024.2.1.79_offline.sh file/l_onemkl_p_2024.2.2.17_offline.sh /root
-COPY boost_1_86_0.tar.gz /root
+COPY file/boost_1_86_0.tar.gz /root
 ENV DOWNLOAD_MINICONDA="False"
 # install ambertools
 RUN <<EOT