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dft_tools
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67 Commits

Author SHA1 Message Date
Nils Wentzell eaa7c43551 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable 2024-03-04 17:59:48 -05:00
Nils Wentzell 44580aad29 Additional corrections to 8d850803 2024-03-04 17:51:58 -05:00
Nils Wentzell 9c6917526c [cmake] Do not define DEBUG macros for RelWithDebInfo builds 2024-03-04 17:25:14 -05:00
Nils Wentzell 8d850803cb [cmake] Only use GNUInstallDirs for LIBDIR 2024-03-01 13:55:33 -05:00
Nils Wentzell f6a2e9802a [cmake] Use GNUInstallDirs to obtain installation directories 2024-01-30 10:51:58 -05:00
Nils Wentzell f4fb3278ee [cmake] Run Debug checks also in RelWithDebInfo build mode 2023-09-27 11:14:33 -04:00
Nils Wentzell 0c65844c7b Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable 2023-08-23 16:54:42 -04:00
Nils Wentzell 72029ee2ba [cmake] Fix sanitizer target names 2023-08-21 17:56:39 -04:00
Nils Wentzell c0afc3c44b [cmake] Protect against redefining santizier targets 2023-08-04 14:52:46 -04:00
Nils Wentzell 089a5f5ab2 [cmake] Include build options for TSAN and MSAN 2023-07-07 16:32:42 -04:00
Alexander Hampel 295b7f278e fix: fix f2py command for numpy ver >1.22 2023-01-23 15:57:53 -05:00
Nils Wentzell b5a85e3034 Squash app4triqs/3.1.x to reduce skeleton history when tracking 
Co-authored-by: Dylan Simon <dylan@dylex.net>
Co-authored-by: Alexander Hampel <ahampel@flatironinstitute.org>
 2022-02-17 17:04:28 -05:00
Alexander Hampel 29c7c337b1 merge latest app4trqs skeleton changes 2021-09-17 14:24:22 -04:00
Nils Wentzell 1c6d29d6a3 [cmake] For ANALYZE_SOURCES=ON run cppcheck in c++20 mode 2021-06-07 14:20:10 -04:00
Nils Wentzell b69baf140e Use nda over TRIQS_RUNTIME_ERROR in dos_tetra3d 2021-05-26 17:59:50 -04:00
Nils Wentzell 3648fd74e8 Automated porting to triqs + meshes + nda 2021-05-26 17:59:50 -04:00
Nils Wentzell 4521842a07 Merge remote-tracking branch 'app4triqs-remote/unstable' into unstable 2020-10-30 16:13:51 -04:00
Nils Wentzell 32df9c4c5f [cmake] Set VERSION property for project library using major and minor version numbers 2020-10-30 14:39:40 -04:00
Alexander Hampel 11d394fd5b synchronize dfttools with app4triqs structure 
* moved the plovasp C++ code to c++/triqs_dft_tools/converters/vasp
* added global header triqs_dft_tools/triqs_dft_tools.hpp
* python dir based on single cmakelist file
* registered C++ tests for plovasp
* corrected imports for py3 tests for plovasp
* corrected block order in sigma_from_file and srvo3_Gloc
* exchanged ref files for sigma_from_file, srvo3_Gloc, SrVO3.ref.h5
* moved vasp converter bash scripts from dir shells to bin dir
 2020-06-10 17:45:53 +02:00
Nils Wentzell 909a772205 [cmake] Disable setting c++ standard using target_compile_features 2020-05-28 11:50:35 -04:00
Nils Wentzell fbe3f2fa0a [cmake] Prefer the use of PROJECT_NAME in most CMakeLists.txt files 2020-05-28 11:20:01 -04:00
Nils Wentzell 35f0e35b0b [cmake] Set target property POSITION_INDEPENDENT_CODE=ON for library 2020-05-13 15:41:24 -04:00
Nils Wentzell daaf502102 [cmake] Provide target alias app4triqs::app4triqs_c -> app4triqs_c for use as subproject 2020-05-07 17:36:53 -04:00
Nils Wentzell 0394f7fae2 [cmake] ASAN / UBSAN should note be exported 2020-05-01 14:28:19 -04:00
Nils Wentzell 6d4289e024 [cmake] rename project_warnings to project specific target, to not export it 2020-04-29 15:31:36 -04:00
Nils Wentzell 3f71381f1b [cmake] Be sure fill INTERFACE_INCLUDE_DIRECTORIES for installed library targets 2020-04-24 17:50:26 -04:00
Nils Wentzell 4120eb5f99 [cmake] Add BUILD_SHARED_LIBS option, continue to build static by default 2020-04-22 15:06:15 -04:00
Nils Wentzell 68cac838cc Adjust hdf5 usage to changes in triqs/nda 2020-04-03 16:20:03 -04:00
Nils Wentzell 7b8b71e984 [cmake] Fix various issues occuring when using a skeleton based app as a subproject 2019-12-02 17:53:17 -05:00
Nils Wentzell 09b0a68b26 [cmake] Fix cppcheck invocation, add --force to cppcheck options 2019-11-21 11:54:10 -05:00
Nils Wentzell 919639bd27 [cmake] Find libasan and libubsan only if the targets are not already defined by the parent project 2019-11-18 14:04:29 -05:00
Nils Wentzell 7859505fea [doc] Remove non-existant tag from doc example 2019-10-09 16:23:02 -04:00
Nils Wentzell cc81dffa4a [cmake] Minor corrections 2019-09-18 14:23:14 -04:00
Nils Wentzell df33cb6ffd [cmake] Clean c++/app4triqs/CMakeLists.txt after recent additions to triqs Findsanitizer.cmake 2019-09-16 14:39:27 -04:00
Nils Wentzell 30f32f8dec [cmake] Update cppcheck language standard 2019-09-13 17:51:16 -04:00
Nils Wentzell 24f5268394 Minor clang-tidy fix in app4triqs.hpp 2019-09-13 17:10:35 -04:00
Nils Wentzell 28d600f149 [app4triqs] Rename files and Python module from toto to app4triqs 
-Automatically detect any wrap generator files
-rename tests to basic/Py_Basic
 2019-09-04 17:37:50 -04:00
Nils Wentzell 8d906ed6cc [cmake] Use PROJECT_GIT_HASH instead to store git hash and adjust dependent files accordingly 2019-07-16 11:54:32 -04:00
Nils Wentzell 3807534ef8 Fix in dos_tetra_weights_3d: return array<..> instead of array_view<..> 
-In triqs version 2.2 array_views no longer own the memory they point to
 This means that array variables that are local to a function should always
 be returned as arrray and never as an array_view
 2019-07-02 10:49:35 -04:00
Nils Wentzell d02eff9ce3 [cmake] Consistently use PROJECT_SOURCE_DIR over CMAKE_SOURCE_DIR 2019-06-26 11:35:52 -04:00
Nils Wentzell 24f49da39c [cmake] Do not enable compiler warnings globally but instead through an interface target 2019-06-26 11:06:12 -04:00
Nils Wentzell c492078f77 [doc] Major cleaning of doc targets and CMakeLists.txt 2019-04-26 12:40:44 -04:00
Nils Wentzell 219bd830a5 [doc] Minor cleanings of app4triqs doc examples 2019-04-26 10:23:58 -04:00
Olivier Parcollet 038b41bd47 minor 2019-04-25 15:48:58 -04:00
Nils Wentzell e329acfa06 Remove warning about unused variable 2019-04-25 13:52:22 -04:00
Olivier Parcollet e055902496 Make doc a bit more complex 2019-04-23 16:44:00 -04:00
Nils Wentzell 095409d879 Major cleaning, Synchronize project structure with qmc codes 2019-04-12 16:36:03 -04:00
Nils Wentzell aef818bc28 add float-cast-overflow and float-divide-by-zero to ubsan checks 2018-11-26 12:04:35 -05:00
Nils Wentzell 759bb9da1d Fix the sanitizers for MacOs 2018-11-21 16:52:55 -05:00
Nils Wentzell af8f3ad824 Minor fixes and adjustments 2018-08-30 18:07:35 -04:00