From f039ed8f606c90bd6da65c41df8acd6b4c2ff927 Mon Sep 17 00:00:00 2001
From: Gerardo Tauriello <gerardo.tauriello@unibas.ch>
Date: Tue, 22 Aug 2017 17:37:40 +0200
Subject: [PATCH] SCHWED-2560: updated dependencies to OST 1.7
---
CMakeLists.txt | 2 +-
conf-scripts/bc2-conf | 39 +++++++--------------------------------
doc/buildsystem.rst | 6 +++---
3 files changed, 11 insertions(+), 36 deletions(-)
diff --git a/CMakeLists.txt b/CMakeLists.txt
index 865d5cd0..4b6466d4 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 1d0c06ef..9bebf310 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 7f2e12ae..eab8bc91 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
--
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