diff --git a/CHANGELOG.txt b/CHANGELOG.txt index d555dbf5163fbd73ad4b63f5bddb64d591ff0c61..78e177d1f752f607e85538e90b39a48ac88d9b37 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 0711b1a5aad8bf01ebfc501c57bf0f2f77269d6a..b7a15c3a9b4a06c072acb38b029dc9667c744c56 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} && \