[QEHeat] added CMakeLists.txt

CMakeLists.txt

@@ -492,6 +492,7 @@ add_subdirectory(PWCOND)
 add_subdirectory(QHA)
 add_subdirectory(TDDFPT)
 add_subdirectory(XSpectra)
+add_subdirectory(QEHeat)
 if(QE_ENABLE_DOC)
     add_subdirectory(Doc)
 endif()
@@ -705,3 +706,8 @@ add_custom_target(epw
         qe_epw_exe
     COMMENT
         "electron-Phonon Coupling with wannier functions")
+add_custom_target(all_currents
+    DEPENDS
+	qe_qeheat_exe
+    COMMENT
+	"QEHeat code to compute energy and electronic density currents")

QEHeat/CMakeLists.txt

@@ -0,0 +1,46 @@
+set(src_qeheat
+    src/traj_object.f90
+    src/cpv_traj.f90
+    src/test_h_psi_s_psi_commutator_Hx_psi.f90
+    src/hartree_xc_mod.f90
+    src/kohn_sham_mod.f90
+    src/zero_mod.f90
+    src/ionic_mod.f90
+    src/project.f90
+    src/init_us_3.f90
+    src/ec_functionals.f90
+    src/compute_charge.f90
+    src/averages.f90
+    src/scf_result.f90
+)
+
+qe_add_library(qe_qeheat ${src_qeheat})
+target_link_libraries(qe_qeheat
+    PRIVATE
+       qe_phonon_ph
+       qe_modules
+       qe_pw
+       qe_lr_modules
+       qe_hdf5_fortran
+       qe_openmp_fortran
+       qe_upflib
+       qe_fftx
+       qe_fox
+       qe_xclib
+)
+
+set(src_all_currents_x src/all_currents.f90)
+qe_enable_cuda_fortran("${src_all_currents_x}")
+qe_add_executable(qe_qeheat_exe ${src_all_currents_x})
+set_target_properties(qe_qeheat_exe PROPERTIES OUTPUT_NAME all_currents.x)
+target_link_libraries(qe_qeheat_exe
+    PRIVATE
+        qe_pw
+        qe_lax
+        qe_modules
+        qe_phonon_ph
+	qe_qeheat)
+
+qe_install_targets(
+	qe_qeheat_exe
+	)