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17733 Commits

Author SHA1 Message Date
Daniele Cesarini 2643568f60 Added cmake for scalapack 2020-09-29 18:11:32 +02:00
Daniele Cesarini 40e6ce9c29 LAPACK vendoring temporarily disabled 2020-09-29 18:11:32 +02:00
Daniele Cesarini 07255de803 Added PP simple transport to cmake toolchain 2020-09-29 18:11:32 +02:00
Daniele Cesarini e736e1c01c Fixed missing dependencies to OpenMP 2020-09-29 18:11:32 +02:00
Daniele Cesarini 9e23333268 Fixed header inclusion 2020-09-29 18:11:32 +02:00
Daniele Cesarini b09dbd22d3 Added OpenMP missing dependency 2020-09-29 18:11:32 +02:00
Daniele Cesarini 163f1a23b0 Missing dependencies 2020-09-29 18:11:32 +02:00
Daniele Cesarini 37eadaeff2 Added cmake OpenMP finder 2020-09-29 18:11:32 +02:00
Daniele Cesarini fc09ef40e4 Removed cmake function preprocessing and replaced with _qe_add_global_target 2020-09-29 18:11:32 +02:00
Daniele Cesarini 90840d6caf Fix preprocessor flags for Fortran files 2020-09-29 18:11:32 +02:00
Daniele Cesarini afd0d3de49 Add missing macro for ARMFlang compiler 2020-09-29 18:11:32 +02:00
Daniele Cesarini e4b38bce27 Add missing dependencies 2020-09-29 18:11:32 +02:00
Federico Ficarelli 6eaade7658 Fix modules unique location for executable targets 2020-09-29 18:11:32 +02:00
Federico Ficarelli 3d4d58e0bb Add CMake build flags presets 2020-09-29 18:11:32 +02:00
Federico Ficarelli b6af940d20 Use uniquely named module directories for all targets 
All targets use uniquely named directories for fortran modules
generation both during build and install. This should fix
non-deterministic issues with parallel builds due to duplicate
module names scattered all across the qe code base. Clashing
duplicate modules are:

n. of instances, module name
----------------------------
2 coef_cg.mod
2 coef_gaunt.mod
2 edge_energy.mod
2 mp_world.mod
 2020-09-29 18:11:32 +02:00
Federico Ficarelli 2299e32606 Add missing dependencies 2020-09-29 18:11:32 +02:00
Federico Ficarelli cf894bd132 Add separate target for shared module 'davidson_param' 2020-09-29 18:11:32 +02:00
Daniele Cesarini cd4177a5e6 Replaced dgamma function with gamma because dgamma is only a GNU specific builtin 2020-09-29 18:11:32 +02:00
Daniele Cesarini a6af0da2a9 Added exclusion of specific flags for GNU compiler 2020-09-29 18:11:32 +02:00
Daniele Cesarini bc12da27c3 Added public targets for QE::FOX and QE::UTILX because ICC is not able to propagate module dependencies 2020-09-29 18:11:32 +02:00
Daniele Cesarini 186cbcaa2e Add custom make targets 2020-09-29 18:11:31 +02:00
Federico Ficarelli 9f89c3c2a6 Fix david_param.mod shared between Davidson/Davidson_RCI 2020-09-29 18:11:31 +02:00
Daniele Cesarini 9246f191ac Restricted dependency visibility for cmake targets 2020-09-29 18:11:31 +02:00
Federico Ficarelli 9add6aace4 Exclude all executables from depgraph 2020-09-29 18:11:31 +02:00
Federico Ficarelli df6ec1c585 Automatically retrieve wannier90 submodule 2020-09-29 18:11:31 +02:00
Daniele Cesarini d912e3905c Added missing QE packagies to cmake 2020-09-29 18:11:31 +02:00
Daniele Cesarini 22d29d39bf Fixed symbols usage via module 2020-09-29 18:11:31 +02:00
Daniele Cesarini 246bfba66a Fixed typo for new line 2020-09-29 18:11:31 +02:00
Daniele Cesarini 950c74633a Fixed symbols usage via module 2020-09-29 18:11:31 +02:00
Daniele Cesarini 7934549e6c Added wannier90 as submodule 2020-09-29 18:11:31 +02:00
Daniele Cesarini 95d80fbe2d Added iotk generated files 2020-09-29 18:11:31 +02:00
Daniele Cesarini 5288adbb4f Vendoring wannier90 2020-09-29 18:11:31 +02:00
Daniele Cesarini 881091bb18 Removed submodule iotk 2020-09-29 18:11:31 +02:00
Daniele Cesarini ef118dbbd5 Added comment to split soubrutine files to module files 2020-09-29 18:11:31 +02:00
Daniele Cesarini 3926fc39c0 Include COUPLE to root cmake 2020-09-29 18:11:31 +02:00
Daniele Cesarini e9264ea8fc Removed useless depencies from COUPLE 2020-09-29 18:11:31 +02:00
Daniele Cesarini 64f806802e Removed useless dependencies 2020-09-29 18:11:31 +02:00
Daniele Cesarini 5982f5b9fd Added LR_Modules library to cmake 2020-09-29 18:11:31 +02:00
Daniele Cesarini fa56393d04 Added COUPLE library to cmake 2020-09-29 18:11:31 +02:00
Daniele Cesarini c6c3f887e6 Added atomic to cmake 2020-09-29 18:11:31 +02:00
Daniele Cesarini a60821ef3a Removed zdotc_wrap.f90 from the sources of Modules/CMakeLists.txt 2020-09-29 18:11:31 +02:00
Daniele Cesarini 03b6e2252a FIX: New pointer for FoX repo -> Delugas repository 2020-09-29 18:11:31 +02:00
Federico Ficarelli 9e42f5452c Fix submodule retrieval for old git versions 2020-09-29 18:11:31 +02:00
Federico Ficarelli 9e062053b8 Raise minimum cmake version to 3.14 to dodge bugs 
* CMake < 3.13 cannot install external targets: https://gitlab.kitware.com/cmake/cmake/merge_requests/2152
* CMake < 3.14 generates incorrect dependency graphs with alias targets: https://gitlab.kitware.com/cmake/cmake/merge_requests/2521
 2020-09-29 18:11:31 +02:00
Federico Ficarelli 6646605b31 Fix installation with system-shipped deps 2020-09-29 18:11:30 +02:00
Federico Ficarelli 0e6da2a73f Streamline vendored deps cmake files 2020-09-29 18:11:30 +02:00
Federico Ficarelli 484a39c121 Move CMake helper functions to proper module 2020-09-29 18:11:30 +02:00
Federico Ficarelli 2adf2e3f44 Make qe_install_targets variadic 2020-09-29 18:11:30 +02:00
Federico Ficarelli ffbb5c9406 Install all binaries 2020-09-29 18:11:30 +02:00
Federico Ficarelli 7eed86daa3 Rename executable targets to match upstream naming 2020-09-29 18:11:30 +02:00