diff --git a/CMakeLists.txt b/CMakeLists.txt index 865d5cd073a82eda1dcc747bbeb013327aec2111..4b6466d4e96b67a816643c7631736f8d551992a3 100644 --- a/CMakeLists.txt +++ b/CMakeLists.txt @@ -86,7 +86,7 @@ if(NOT DISABLE_DOCUMENTATION) # set this to the URL corresponding to the version of OST you are using set(OST_DOC_URL "http://www.openstructure.org/docs/dev") endif() -find_package(OPENSTRUCTURE 1.6 REQUIRED +find_package(OPENSTRUCTURE 1.7 REQUIRED COMPONENTS io mol seq seq_alg mol_alg conop img mol_mm) if(CMAKE_COMPILER_IS_GNUCXX) diff --git a/conf-scripts/bc2-conf b/conf-scripts/bc2-conf index 1d0c06eff7fc2be0fe1cbc99c6d33084de6cc048..9bebf31065a16c3373679546073dbc7c8b4b34a1 100755 --- a/conf-scripts/bc2-conf +++ b/conf-scripts/bc2-conf @@ -4,15 +4,6 @@ # build directory. Does not work from top-level dir. # Meant to work on bc2 cluster (and probably nowhere else)! -function usage_centos5 -{ - echo 'usage:' - echo ' bc2-conf <OST_ROOT> <EIGEN3_INCLUDE_DIR> [OPTIONS]' - echo ' OST_ROOT is the staging directory of OST.' - echo ' Valid options are anything that CMake accepts.' - exit 1 -} - function usage_centos6 { echo 'usage:' @@ -50,15 +41,16 @@ if test "$CENTOS_MAJOR" == "6"; then fi done else - module load OpenStructure/1.5.0-goolf-1.4.10 + # TODO + # module load OpenStructure/1.6.0-goolf-1.4.10_20161111 + echo 'No OST 1.7 module available yet!' fi # load required modules module load git/1.8.5.6-goolf-1.4.10 \ CMake/2.8.12-goolf-1.4.10 \ Python/2.7.5-goolf-1.4.10 \ - OpenBLAS/0.2.6-gompi-1.4.10-LAPACK-3.4.2 \ - Eigen/3.2.1-goolf-1.4.10 \ + Eigen/3.3.1 \ Boost/1.53.0-goolf-1.4.10-Python-2.7.5 # run cmake cmake $PROMOD3_SRC \ @@ -66,29 +58,12 @@ if test "$CENTOS_MAJOR" == "6"; then -DPYTHON_ROOT=$EBROOTPYTHON \ -DEIGEN3_INCLUDE_DIR="${EBROOTEIGEN}/include" \ -DBOOST_ROOT=$EBROOTBOOST \ - -DBLAS_blas_LIBRARY=${EBROOTOPENBLAS}/lib/libopenblas.so \ -DDISABLE_DOCUMENTATION=ON \ - -DOPTIMIZE=1 \ + -DOPTIMIZE=1 -DENABLE_SSE=1 \ $cmd_params else - # configuration for old BC2 - if test "$NUM_PARAMS" -lt "2"; then - echo 'You must specify the locations of OST and Eigen3 (in'\ - 'that order).'; - usage_centos5 - fi - - OST_ROOT=$(cd $1; pwd) - shift - EIGEN3_INCLUDE_DIR=$(cd $1; pwd) - shift - - /import/bc2/soft/app/cmake/2.8.7/Linux/bin/cmake $PROMOD3_SRC \ - -DOST_ROOT=$OST_ROOT \ - -DEIGEN3_INCLUDE_DIR=$EIGEN3_INCLUDE_DIR \ - -DBOOST_ROOT=/import/bc2/soft/app/boost/1.47.0/Linux/ \ - -DPYTHON_ROOT=/import/bc2/soft/app/Python/2.7.5/Linux \ - $@ + echo 'Only the CentOS 6 version of bc2 is supported' + # TODO: update for CentOS 7 fi diff --git a/doc/buildsystem.rst b/doc/buildsystem.rst index 7f2e12aec2ea8f69e2c6bc2a545400209f430b8a..eab8bc9110d0e570226c1e17f030810d87b25950 100644 --- a/doc/buildsystem.rst +++ b/doc/buildsystem.rst @@ -8,7 +8,7 @@ Dependencies -------------------------------------------------------------------------------- |project| is build on top of |ost_l|_ (|ost_s|), requiring at least version -1.5. |ost_s| must be configured and compiled with ``ENABLE_MM=1`` to use |openmm|_. +1.7. |ost_s| must be configured and compiled with ``ENABLE_MM=1`` to use |openmm|_. To create the build system, |cmake|_ is required in version 2.8.7 or higher. |python|_ works well from version 2.7. For |ost_s| and the |C++| bit of |project|, |boost|_ is required in version 1.53.0 (the same as @@ -18,8 +18,8 @@ documentation, |sphinx|_ 1.2b1 is required. The currently preferred versions are: -* |ost_s|_ 1.5 -* |openmm|_ 6.1 +* |ost_s|_ 1.7 +* |openmm|_ 7.1.1 * |cmake|_ 2.8.12 * |python|_ 2.7.5 * |boost|_ 1.53.0