From 8405d00e3a0f8ca949f907d755c976188282a12c Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Thu, 2 Dec 2021 12:33:11 +0100
Subject: [PATCH] simplify Dockerfile - remove MSMS
---
CHANGELOG.txt | 5 +++++
docker/Dockerfile | 12 ------------
2 files changed, 5 insertions(+), 12 deletions(-)
diff --git a/CHANGELOG.txt b/CHANGELOG.txt
index d555dbf51..78e177d1f 100644
--- a/CHANGELOG.txt
+++ b/CHANGELOG.txt
@@ -1,3 +1,8 @@
+Changes in Release 2.x.c
+--------------------------------------------------------------------------------
+
+ * Simplify Dockerfile - remove MSMS
+
Changes in Release 2.3.0
--------------------------------------------------------------------------------
diff --git a/docker/Dockerfile b/docker/Dockerfile
index 0711b1a5a..b7a15c3a9 100644
--- a/docker/Dockerfile
+++ b/docker/Dockerfile
@@ -36,18 +36,6 @@ RUN apt-get update -y && apt-get install -y cmake \
# CLEANUP
rm -rf /var/lib/apt/lists/*
-# INSTALL MSMS
-##############
-RUN cd ${SRC_FOLDER} && \
- mkdir -p msms && \
- cd ${SRC_FOLDER}/msms && \
- wget http://mgltools.scripps.edu/downloads/tars/releases/MSMSRELEASE/REL${MSMS_VERSION}/msms_i86_64Linux2_${MSMS_VERSION}.tar.gz && \
- tar -xvzf msms_i86_64Linux2_${MSMS_VERSION}.tar.gz && \
- cp -v ${SRC_FOLDER}/msms/msms.x86_64Linux2.${MSMS_VERSION} /usr/local/bin/msms && \
- cp -v ${SRC_FOLDER}/msms/pdb_to_xyzr /usr/local/bin/pdb_to_xyzr && \
- cp -v ${SRC_FOLDER}/msms/pdb_to_xyzrn /usr/local/bin/pdb_to_xyzrn && \
- rm -rf ${SRC_FOLDER}/msms
-
# INSTALL OPENMM
################
RUN cd ${SRC_FOLDER} && \
--
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