Clean CMakeLists.txt

CMakeLists.txt

@@ -18,6 +18,6 @@ endif()
 set(CMAKE_INSTALL_PREFIX ${TRIQS_PATH})
 
 add_subdirectory(fortran/dmftproj) 
-add_subdirectory(fortran/F90)
+add_subdirectory(fortran/vertex)
 add_subdirectory(python)
 add_subdirectory(test)

fortran/dmftproj/CMakeLists.txt

@@ -1,27 +1,19 @@
 # List the sources
-set (SOURCES modules dmftproj readcomline set_ang_trans setsym 
+set(SOURCES modules.f dmftproj.f readcomline.f set_ang_trans.f setsym.f 
-     set_rotloc timeinv read_k_list set_projections orthogonal 
+            set_rotloc.f timeinv.f read_k_list.f set_projections.f orthogonal.f 
-     rot_projectmat density symmetrize_mat rot_dens
+            rot_projectmat.f density.f symmetrize_mat.f rot_dens.f
-     orthogonal_wannier outputqmc outbwin outband)
+            orthogonal_wannier.f outputqmc.f outbwin.f outband.f)
-
-# add the extension and the path
-FOREACH(f ${SOURCES} )
- set(S "${CMAKE_CURRENT_SOURCE_DIR}/${f}.f;${S}")
-ENDFOREACH(f)
 
 # The main target and what to link with...
-add_executable(dmftproj ${S})
+add_executable(dmftproj ${SOURCES})
 target_link_libraries(dmftproj ${TRIQS_LIBRARY_LAPACK})
 
 # where to install
 install (TARGETS dmftproj DESTINATION bin)
 
-# that is it !
+# install wien2k files
-
 SET(D ${CMAKE_CURRENT_SOURCE_DIR}/SRC_templates/)
 SET(WIEN_SRC_TEMPL_FILES ${D}/case.cf_f_mm2  ${D}/case.cf_p_cubic  ${D}/case.indmftpr ${D}/run_triqs ${D}/runsp_triqs)
-
-# build the fortran stuff...
 message(STATUS "-----------------------------------------------------------------------------")
 message(STATUS "                             ********  WARNING ******** ")
 message(STATUS "  Wien2k users : after installation of TRIQS, copy the files from ")

fortran/vertex/CMakeLists.txt

@@ -1,3 +1,2 @@
- 
 triqs_build_f2py_module( triqs_DFT vertex vertex.pyf vertex.f90)
 install (FILES ${CMAKE_CURRENT_BINARY_DIR}/vertex.so DESTINATION ${TRIQS_PYTHON_LIB_DEST}/applications/dft)

python/CMakeLists.txt

@@ -1,22 +1,9 @@
-triqs_make_target_to_copy_all_py_files_from_python_dir_to_build_dir()
+# where will the python end up in triqs?
+set(python_destination applications/dft)
 
-execute_process(COMMAND ln -fs ${CMAKE_BINARY_DIR}/fortran/F90/vertex.so ${CMAKE_CURRENT_BINARY_DIR} )
+# make a local pytriqs copy
-
+triqs_prepare_local_pytriqs_merged_with_my_python(${python_destination})
-add_subdirectory(converters)
-
-#installation 
-SET(PYTHON_SOURCES 
- ${CMAKE_CURRENT_SOURCE_DIR}/__init__.py 
- ${CMAKE_CURRENT_SOURCE_DIR}/solver_multiband.py 
- ${CMAKE_CURRENT_SOURCE_DIR}/sumk_lda.py 
- ${CMAKE_CURRENT_SOURCE_DIR}/sumk_lda_tools.py 
- ${CMAKE_CURRENT_SOURCE_DIR}/symmetry.py 
- ${CMAKE_CURRENT_SOURCE_DIR}/U_matrix.py 
- )
-install (FILES ${PYTHON_SOURCES} DESTINATION ${TRIQS_PYTHON_LIB_DEST}/applications/dft)
-
-#make sure that the __init__.py empty files are present ...
-file (WRITE __init__.py.all_empty  "__all__=[]")
-install (FILES __init__.py.all_empty DESTINATION ${TRIQS_PYTHON_LIB_DEST}/applications/                  RENAME __init__.py)
 
+# to be able to run from toplevel
+execute_process(COMMAND ln -fs ${CMAKE_BINARY_DIR}/fortran/vertex/vertex.so ${CMAKE_BINARY_DIR}/pytriqs/${python_destination})
 

python/converters/CMakeLists.txt

@@ -1,6 +0,0 @@
-SET(PYTHON_SOURCES 
- ${CMAKE_CURRENT_SOURCE_DIR}/__init__.py 
- ${CMAKE_CURRENT_SOURCE_DIR}/wien2k_converter.py 
- )
-
-install (FILES ${PYTHON_SOURCES} DESTINATION ${TRIQS_PYTHON_LIB_DEST}/applications/dft/converters)

python/solver_multiband.py

@@ -21,12 +21,9 @@
 ################################################################################
 
 
-#from pytriqs.applications.dft.U_matrix import *
-from U_matrix import *
-#from pytriqs.applications.impurity_solvers.operators import *
 from pytriqs.operators import *
-#from pytriqs.applications.impurity_solvers.ctqmc_hyb import Solver
+from pytriqs.applications.impurity_solvers.cthyb_matrix import Solver
-from pytriqs.applications.impurity_solvers.ctqmc_hyb_matrix import Solver
+from pytriqs.applications.dft.U_matrix import *
 
 import pytriqs.utility.mpi as mpi
 from types import *

test/CMakeLists.txt

@@ -7,4 +7,3 @@ triqs_add_test_hdf(sumklda_basic " -d 1.e-6" )
 triqs_add_test_hdf(srvo3_Gloc "  -d 1.e-6" )
 triqs_add_test_hdf(U_mat " -d 1.e-6" )
 
-

test/U_mat.py

@@ -22,8 +22,7 @@
 
 from pytriqs.archive import *
 import numpy
-#from pytriqs.applications.dft.U_matrix import Umatrix
+from pytriqs.applications.dft.U_matrix import Umatrix
-from U_matrix import Umatrix
 
 U = Umatrix(U_interact = 2.0, J_hund = 0.5, l=2)
 

test/srvo3_Gloc.py

@@ -21,11 +21,9 @@
 #
 ################################################################################
 
-#from pytriqs.applications.dft.sumk_lda import *
-#from pytriqs.applications.dft.converters.wien2k_converter import *
-from sumk_lda import *
-from converters.wien2k_converter import *
 from pytriqs.archive import *
+from pytriqs.applications.dft.sumk_lda import *
+from pytriqs.applications.dft.converters.wien2k_converter import *
 
 #=====================================================
 #Basic input parameters:
@@ -51,8 +49,7 @@ Norb = SK.corr_shells[0][3]
 l = SK.corr_shells[0][2]
 
 
-from solver_multiband import *
+from pytriqs.applications.dft.solver_multiband import *
-#from pytriqs.applications.dft.solver_multiband import *
 
 S=SolverMultiBand(beta=Beta,n_orb=Norb,gf_struct=SK.gf_struct_solver[0],map=SK.map[0])
 

test/sumklda_basic.py

@@ -21,8 +21,7 @@
 ################################################################################
 
 from pytriqs.archive import *
-#from pytriqs.applications.dft.sumk_lda_tools import SumkLDATools
+from pytriqs.applications.dft.sumk_lda_tools import SumkLDATools
-from sumk_lda_tools import SumkLDATools
 
 
 SK = SumkLDATools(hdf_file = 'SrVO3.h5')

test/wien2k_convert.py

@@ -21,9 +21,7 @@
 ################################################################################
 
 from pytriqs.archive import *
-#from pytriqs.applications.dft.converters import Wien2kConverter
+from pytriqs.applications.dft.converters import Wien2kConverter
-from converters import Wien2kConverter
-
 
 
 Converter = Wien2kConverter(filename='SrVO3')