Merge pull request #29 from dftfeDevelopers/publicGithubDevelop

0.6.0 Release PR

Author: phanimotamarri

CMakeLists.txt

@@ -3,8 +3,8 @@
 ##
 
 # Set the name of the project and target:
-SET(TARGET "main")
-SET(TARGETLIB "dftfe")
+SET(TARGET "dftfe")
+SET(TARGETLIB "dftfem")
 
 INCLUDE_DIRECTORIES(
  ${CMAKE_SOURCE_DIR}/include
@@ -256,6 +256,26 @@ ELSE()
   MESSAGE(FATAL_ERROR "-- Provide path to prefix of SPGLIB: -DSPGLIB_DIR=/path/to/prefix")
 ENDIF (DEFINED SPGLIB_DIR)
 
+
+#
+# Custom "debug" and "release" make targets:
+#
+ADD_CUSTOM_TARGET(debug
+COMMAND ${CMAKE_COMMAND} -DCMAKE_BUILD_TYPE=Debug ${CMAKE_SOURCE_DIR}
+COMMAND ${CMAKE_COMMAND} --build ${CMAKE_BINARY_DIR} --target all
+COMMENT "Switch CMAKE_BUILD_TYPE to Debug"
+)
+
+ADD_CUSTOM_TARGET(release
+COMMAND ${CMAKE_COMMAND} -DCMAKE_BUILD_TYPE=Release ${CMAKE_SOURCE_DIR}
+COMMAND ${CMAKE_COMMAND} --build ${CMAKE_BINARY_DIR} --target all
+COMMENT "Switch CMAKE_BUILD_TYPE to Release"
+)
+
+
+#
+# FIXME: that will not play well with installation
+#
 ADD_DEFINITIONS(-DDFT_PATH="${CMAKE_CURRENT_SOURCE_DIR}")
 
 # Enable testing and descent into tests/ subdirectory:
@@ -274,3 +294,19 @@ ELSE()
    ADD_SUBDIRECTORY(tests/dft/pseudopotential/real)
    ADD_SUBDIRECTORY(tests/dft/allElectron/real)
 ENDIF()
+
+
+#
+# installation target.
+# use with -DCMAKE_INSTALL_PREFIX=/path/to/
+#
+SET(TARGETLIBEXPORT "femdftTargets")
+# 1. Install defined library target
+install (TARGETS ${TARGETLIB} EXPORT ${TARGETLIBEXPORT}
+         LIBRARY DESTINATION lib)
+# 2. Install the binary
+install (TARGETS ${TARGET}
+         RUNTIME DESTINATION bin)
+# 3. Install content of include dir
+install (DIRECTORY "${CMAKE_CURRENT_SOURCE_DIR}/include/"
+         DESTINATION include)

Doxyfile

@@ -38,7 +38,7 @@ PROJECT_NAME           = "DFT-FE"
 # could be handy for archiving the generated documentation or if some version
 # control system is used.
 
-PROJECT_NUMBER         = "0.5.2"
+PROJECT_NUMBER         = "0.6.0"
 
 # Using the PROJECT_BRIEF tag one can provide an optional one line description
 # for a project that appears at the top of each page and should give viewer a

README.md

@@ -5,7 +5,7 @@ DFT-FE : Density Functional Theory With Finite-Elements
 About
 -----
 
-DFT-FE is a C++ code for materials modeling from first principles using Kohn-Sham density functional theory.
+DFT-FE is a C++ code for materials modeling from first principles using Kohn-Sham density functional theory, developed by the [Computational Materials Physics Group](http://www-personal.umich.edu/~vikramg) at University of Michigan.
 It is based on adaptive finite-element discretization that handles all-electron and pseudopotential calculations in the 
 same framework, and incorporates scalable and efficient solvers for the solution of the Kohn-Sham equations. Importantly, DFT-FE can handle general geometries and boundary conditions, including periodic, semi-periodic and non-periodic systems. DFT-FE code builds on top of the deal.II library for everything 
 that has to do with finite elements, geometries, meshes, etc., and, through deal.II on p4est for parallel adaptive mesh handling.
@@ -32,11 +32,9 @@ Learn more about contributing to DFT-FE's development [here](https://github.com/
 More information
 ----------------
 
-For more information see:
-
- - The official [website](https://sites.google.com/umich.edu/dftfe).
+ - See the official [website](https://sites.google.com/umich.edu/dftfe) for information on code capabilities, appropriate referencing of the code, acknowledgements, and news related to DFT-FE.
 
- - Doxygen generated [documentation](https://dftfedevelopers.github.io/dftfe/).
+ - See Doxygen generated [documentation](https://dftfedevelopers.github.io/dftfe/).
 
  - For questions about DFT-FE, installation, bugs, etc., use the [DFT-FE discussion forum](https://groups.google.com/forum/#!forum/dftfe-user-group).