Update headers, fix style for some py files

[alexxy/gromacs.git] / src / python / CMakeLists.txt

diff --git a/src/python/CMakeLists.txt b/src/python/CMakeLists.txt
index a1e256547ba724f41a0355d1ccdb55d4dda53700..8ca514b9c6ba884074189b7723196278458bcf01 100644 (file)
--- a/src/python/CMakeLists.txt
+++ b/src/python/CMakeLists.txt
@@ -1,7 +1,7 @@
 #
 # This file is part of the GROMACS molecular simulation package.
 #
-# Copyright (c) 2009,2010,2011,2012,2013,2014, by the GROMACS development team, led by
+# Copyright (c) 2014,2015, by the GROMACS development team, led by
 # Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
 # and including many others, as listed in the AUTHORS file in the
 # top-level source directory and at http://www.gromacs.org.
@@ -31,9 +31,9 @@
 #
 # To help us fund GROMACS development, we humbly ask that you cite
 # the research papers on the package. Check out http://www.gromacs.org.
-#
 
 find_package(PythonLibrary REQUIRED)
+find_package(NumPy REQUIRED)
 find_package(SIP REQUIRED)
 
 include(SIPMacros)
@@ -44,7 +44,7 @@ include_directories(
     ${SIP_INCLUDE_DIR}
     ${GROMACS_INCLUDE_DIRS}
     ${CMAKE_SOURCE_DIR}/src/python/include
-    ${PYTHON_SITE_PACKAGES_INSTALL_DIR}/numpy/core/include
+    ${NUMPY_INCLUDE_DIRS}
 )
 
 add_definitions(-DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION)
@@ -52,23 +52,32 @@ add_definitions(-DNPY_NO_DEPRECATED_API=NPY_1_7_API_VERSION)
 set(SIP_INCLUDES ${CMAKE_BINARY_DIR} sip)
 set(SIP_EXTRA_OPTIONS ${SIP_EXTRA_OPTIONS} -e -o)
 
-# This is needed for NumPy, which does not like code in many files
-set(SIP_CONCAT_PARTS 1)
-
 file(GLOB common_files_sip sip/*.sip)
 
 file(GLOB options_files_sip sip/options/*.sip)
 set(SIP_EXTRA_FILES_DEPEND ${options_files_sip} ${common_files_sip})
 add_sip_python_module(gromacs.Options sip/options/Options.sip libgromacs)
 
-file(GLOB trajectoryanalysis_files_sip sip/trajectoryanalysis/*.sip)
-set(SIP_EXTRA_FILES_DEPEND ${trajectoryanalysis_files_sip} ${common_files_sip})
-add_sip_python_module(gromacs.TrajectoryAnalysis
-    sip/trajectoryanalysis/TrajectoryAnalysis.sip libgromacs)
-
 file(GLOB topology_files_sip sip/topology/*.sip)
 set(SIP_EXTRA_FILES_DEPEND ${topology_files_sip} ${common_files_sip})
 add_sip_python_module(gromacs.Topology
     sip/topology/Topology.sip libgromacs)
 
+# This is needed for NumPy, which does not like code in many files
+set(SIP_CONCAT_PARTS 1)
+
+file(GLOB selection_files_sip sip/selection/*.sip)
+set(SIP_EXTRA_FILES_DEPEND ${selection_files_sip} ${common_files_sip})
+add_sip_python_module(gromacs.Selection
+    sip/selection/Selection.sip libgromacs)
+
+file(GLOB trajectoryanalysis_files_sip sip/trajectoryanalysis/*.sip)
+set(SIP_EXTRA_FILES_DEPEND ${trajectoryanalysis_files_sip} ${common_files_sip})
+add_sip_python_module(gromacs.TrajectoryAnalysis
+    sip/trajectoryanalysis/TrajectoryAnalysis.sip libgromacs)
+
 python_install(__init__.py ${PYTHON_SITE_PACKAGES_INSTALL_DIR}/gromacs)
+
+install(DIRECTORY runner DESTINATION ${PYTHON_SITE_PACKAGES_INSTALL_DIR}/gromacs)
+python_install(runner/__init__.py ${PYTHON_SITE_PACKAGES_INSTALL_DIR}/gromacs)
+python_install(runner/pipeline.py ${PYTHON_SITE_PACKAGES_INSTALL_DIR}/gromacs)