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https://github.com/triqs/dft_tools
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Clean CMakeLists.txt
This commit is contained in:
Michel Ferrero
parent
237fabae59
commit
cd650884d3
@ -18,6 +18,6 @@ endif()
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set(CMAKE_INSTALL_PREFIX ${TRIQS_PATH})
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add_subdirectory(fortran/dmftproj)
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add_subdirectory(fortran/F90)
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add_subdirectory(fortran/vertex)
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add_subdirectory(python)
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add_subdirectory(test)
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@ -1,27 +1,19 @@
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# List the sources
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set (SOURCES modules dmftproj readcomline set_ang_trans setsym
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set_rotloc timeinv read_k_list set_projections orthogonal
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rot_projectmat density symmetrize_mat rot_dens
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orthogonal_wannier outputqmc outbwin outband)
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# add the extension and the path
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FOREACH(f ${SOURCES} )
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set(S "${CMAKE_CURRENT_SOURCE_DIR}/${f}.f;${S}")
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ENDFOREACH(f)
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set(SOURCES modules.f dmftproj.f readcomline.f set_ang_trans.f setsym.f
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set_rotloc.f timeinv.f read_k_list.f set_projections.f orthogonal.f
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rot_projectmat.f density.f symmetrize_mat.f rot_dens.f
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orthogonal_wannier.f outputqmc.f outbwin.f outband.f)
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# The main target and what to link with...
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add_executable(dmftproj ${S})
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target_link_libraries(dmftproj ${TRIQS_LIBRARY_LAPACK} )
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add_executable(dmftproj ${SOURCES})
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target_link_libraries(dmftproj ${TRIQS_LIBRARY_LAPACK})
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# where to install
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install (TARGETS dmftproj DESTINATION bin )
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install (TARGETS dmftproj DESTINATION bin)
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# that is it !
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SET( D ${CMAKE_CURRENT_SOURCE_DIR}/SRC_templates/)
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# install wien2k files
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SET(D ${CMAKE_CURRENT_SOURCE_DIR}/SRC_templates/)
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SET(WIEN_SRC_TEMPL_FILES ${D}/case.cf_f_mm2 ${D}/case.cf_p_cubic ${D}/case.indmftpr ${D}/run_triqs ${D}/runsp_triqs)
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# build the fortran stuff...
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message(STATUS "-----------------------------------------------------------------------------")
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message(STATUS " ******** WARNING ******** ")
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message(STATUS " Wien2k users : after installation of TRIQS, copy the files from ")
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@ -1,3 +1,2 @@
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triqs_build_f2py_module( triqs_DFT vertex vertex.pyf vertex.f90)
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install (FILES ${CMAKE_CURRENT_BINARY_DIR}/vertex.so DESTINATION ${TRIQS_PYTHON_LIB_DEST}/applications/dft)
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@ -1,22 +1,9 @@
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triqs_make_target_to_copy_all_py_files_from_python_dir_to_build_dir()
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# where will the python end up in triqs?
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set(python_destination applications/dft)
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execute_process(COMMAND ln -fs ${CMAKE_BINARY_DIR}/fortran/F90/vertex.so ${CMAKE_CURRENT_BINARY_DIR} )
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add_subdirectory(converters)
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#installation
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SET(PYTHON_SOURCES
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${CMAKE_CURRENT_SOURCE_DIR}/__init__.py
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${CMAKE_CURRENT_SOURCE_DIR}/solver_multiband.py
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${CMAKE_CURRENT_SOURCE_DIR}/sumk_lda.py
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${CMAKE_CURRENT_SOURCE_DIR}/sumk_lda_tools.py
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${CMAKE_CURRENT_SOURCE_DIR}/symmetry.py
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${CMAKE_CURRENT_SOURCE_DIR}/U_matrix.py
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)
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install (FILES ${PYTHON_SOURCES} DESTINATION ${TRIQS_PYTHON_LIB_DEST}/applications/dft)
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#make sure that the __init__.py empty files are present ...
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file (WRITE __init__.py.all_empty "__all__=[]")
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install (FILES __init__.py.all_empty DESTINATION ${TRIQS_PYTHON_LIB_DEST}/applications/ RENAME __init__.py)
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# make a local pytriqs copy
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triqs_prepare_local_pytriqs_merged_with_my_python(${python_destination})
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# to be able to run from toplevel
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execute_process(COMMAND ln -fs ${CMAKE_BINARY_DIR}/fortran/vertex/vertex.so ${CMAKE_BINARY_DIR}/pytriqs/${python_destination})
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@ -1,6 +0,0 @@
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SET(PYTHON_SOURCES
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${CMAKE_CURRENT_SOURCE_DIR}/__init__.py
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${CMAKE_CURRENT_SOURCE_DIR}/wien2k_converter.py
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)
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install (FILES ${PYTHON_SOURCES} DESTINATION ${TRIQS_PYTHON_LIB_DEST}/applications/dft/converters)
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@ -21,12 +21,9 @@
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################################################################################
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#from pytriqs.applications.dft.U_matrix import *
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from U_matrix import *
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#from pytriqs.applications.impurity_solvers.operators import *
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from pytriqs.operators import *
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#from pytriqs.applications.impurity_solvers.ctqmc_hyb import Solver
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from pytriqs.applications.impurity_solvers.ctqmc_hyb_matrix import Solver
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from pytriqs.applications.impurity_solvers.cthyb_matrix import Solver
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from pytriqs.applications.dft.U_matrix import *
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import pytriqs.utility.mpi as mpi
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from types import *
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@ -7,4 +7,3 @@ triqs_add_test_hdf(sumklda_basic " -d 1.e-6" )
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triqs_add_test_hdf(srvo3_Gloc " -d 1.e-6" )
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triqs_add_test_hdf(U_mat " -d 1.e-6" )
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@ -22,8 +22,7 @@
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from pytriqs.archive import *
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import numpy
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#from pytriqs.applications.dft.U_matrix import Umatrix
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from U_matrix import Umatrix
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from pytriqs.applications.dft.U_matrix import Umatrix
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U = Umatrix(U_interact = 2.0, J_hund = 0.5, l=2)
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@ -21,11 +21,9 @@
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#
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################################################################################
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#from pytriqs.applications.dft.sumk_lda import *
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#from pytriqs.applications.dft.converters.wien2k_converter import *
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from sumk_lda import *
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from converters.wien2k_converter import *
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from pytriqs.archive import *
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from pytriqs.applications.dft.sumk_lda import *
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from pytriqs.applications.dft.converters.wien2k_converter import *
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#=====================================================
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#Basic input parameters:
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@ -51,8 +49,7 @@ Norb = SK.corr_shells[0][3]
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l = SK.corr_shells[0][2]
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from solver_multiband import *
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#from pytriqs.applications.dft.solver_multiband import *
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from pytriqs.applications.dft.solver_multiband import *
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S=SolverMultiBand(beta=Beta,n_orb=Norb,gf_struct=SK.gf_struct_solver[0],map=SK.map[0])
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@ -21,8 +21,7 @@
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################################################################################
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from pytriqs.archive import *
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#from pytriqs.applications.dft.sumk_lda_tools import SumkLDATools
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from sumk_lda_tools import SumkLDATools
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from pytriqs.applications.dft.sumk_lda_tools import SumkLDATools
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SK = SumkLDATools(hdf_file = 'SrVO3.h5')
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@ -21,9 +21,7 @@
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################################################################################
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from pytriqs.archive import *
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#from pytriqs.applications.dft.converters import Wien2kConverter
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from converters import Wien2kConverter
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from pytriqs.applications.dft.converters import Wien2kConverter
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Converter = Wien2kConverter(filename='SrVO3')
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