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Author SHA1 Message Date
Nils Wentzell
9d87d0be15 Updating import directives, minor correction to commit 2018-05-01 11:55:31 +02:00
Nils Wentzell
72c7f57110 Fix #89 Adjustments after recent triqs/cthyb gf_struct typechange 
-Adjust gf_struct keyword argument of CTHyb from dict : str -> indices
to list of pairs: [ [str, indices], ... ] in accordance with
recent cthyb/triqs changes

-Fix set_operator_structure in srvo3_Gloc.py test accordingly

-TODO: Adjust gf_struct appearences throughout dft_tools accordingly
 2018-04-30 19:05:18 +02:00
Manuel
88bf0fd435 Include thermal conductivity in transp doc 2018-04-30 11:43:58 -04:00
Manuel
3cfca94b1f Include kappa in transport test 2018-04-30 11:07:13 -04:00
leonid@cpht.polytechnique.fr
5e17d333ee thermal cond. added to conductivity_and_seebeck 2018-04-27 12:14:50 +02:00
Nils Wentzell
6be41fb47a [cmake] Prepend UBSan options to Env 2018-04-24 23:59:32 +02:00
Nils Wentzell
6aa4eee0f4 [cmake] Fixing usage of ubsan with Minimal RT, some cleaning 
- Use UBsan Minimal RT if found
- Prioritize gcc-7 directories over older
- Set UBSan options for c++/python tests
 2018-04-24 23:34:14 +02:00
Nils Wentzell
82b10c1983 [travis] avoid apt-get install failure, add ubsan options 2018-04-24 22:34:41 +02:00
Dylan Simon
e8a14a3406 [jenkins] Remove unnecessary CPP2RST_INCLUDE flags 
Fixed by cpp2py build in triqs efd7b0f7d855a0b5ae260d0fd7a6031cec068072
 2018-04-10 12:01:37 -04:00
Dylan Simon
364c99d292 [jenkins] expand LLVM arg 
Doesn't propagate from parent image
 2018-04-06 11:55:25 -04:00
Dylan Simon
27cfe25967 [jenkins] Use CPP2RST_INCLUDE_COMMAND instead 2018-04-06 11:43:10 -04:00
Dylan Simon
3174a27c70 [jenkins] Add CPP2RST_INCLUDE_DIRS hack for docs 2018-04-06 11:37:30 -04:00
Dylan Simon
907f469bab [jenkins] Remove hard-coded app name from Dockerfile 2018-04-06 11:29:06 -04:00
Dylan Simon
51368b1d66 [jenkins] more comments and explanation 2018-04-06 11:27:06 -04:00
Nils Wentzell
c6a0079b89 travis update to llvm7 and xenial 2018-04-06 15:10:42 +02:00
Nils Wentzell
ee1e563c82 Lowering cmake version requirement, removing fPIC global flag 2018-04-06 14:36:32 +02:00
Nils Wentzell
d8f6932888 Make static analyzers optional 2018-04-06 14:36:07 +02:00
Gernot J. Kraberger
f8731f1bfe Fix test 
the testing threshold has to be more generous than the
analyzing threshold
 2018-04-03 17:11:59 +02:00
Gernot J. Kraberger
086573950b bugfix: blocks get added twice 
Whenever both G and G^T support a symmetry,
the block is added twice. This commit prevents that...
 2018-03-30 15:46:40 +02:00
Gernot J. Kraberger
2c6149228a _get_hermitian_quantity_from_gf to avoid code duplication 2018-03-28 16:28:52 +02:00
Nils Wentzell
afd3ae12f2 updating README with instructions 2018-03-28 11:00:54 +02:00
Nils Wentzell
ed918caf40 remove cpp2py header include 2018-03-27 13:55:04 +02:00
Dylan Simon
172b2da58f [jenkins] don't allow empty docker updates 
just fail and ignore
 2018-03-26 16:30:04 -04:00
Nils Wentzell
f65e5bfbad Further cleanining, switching to static library 
-Disable LINTing in test macros with comment // NOLINT
-Enable static analyzers for c++ tests
-Switch app4triqs_c to static library
 Dynamic was pickung up previously installed libapp4triqs_c.so in tests
 Also there is no need to be dynamic for applications
-Fix previous change in HeaderFilterRegex:
 'app4triqs/c++' was blocking all headers for clang-tidy checks.
 'app4triqs' works well, but we cannot install any other headers into
 app4triqs folder structure.
 We thus had to create INSTALL_DIR in travis.yml
 2018-03-26 00:31:39 +02:00
Nils Wentzell
e3c4366d54 Enable all compiler warnings, Include Triqs headers as SYSTEM, fix linker for sanitizers 2018-03-25 20:15:49 +02:00
Nils Wentzell
f0b49145da Disable clang build and stronger restriction on clang tidy headers 2018-03-25 19:38:25 +02:00
Nils Wentzell
78ff2fb178 check clang travis build 2018-03-25 19:22:14 +02:00
Nils Wentzell
f2d7e84bdd Major update and Cleaning 
-consistent indends in all cmake files
-add static analyzer checks with both cppcheck and clang-tidy
-add dynamic analyzer checks with Address Sanitizer and option ASAN
-add dynamic analyzer checks with Undefined Behavior Sanitizer and option UBSAN
-Further Cleaning and Comments
 2018-03-25 19:21:18 +02:00
Dylan Simon
6ef318d4b9 [jenkins] build osx against persistent triqs; dockerhub 
Also sync with app4triqs
 2018-03-23 15:35:56 -04:00
Dylan Simon
616479d883 [jenkins] Use persistent osx triqs install; cleanup 
Should now match dft_tools and soon cthyb
 2018-03-23 15:30:28 -04:00
Nils Wentzell
6bf4afd316 Adding cmake config files to install targets, Major cleaning 2018-03-23 16:59:38 +01:00
Nils Wentzell
2b76c51f12 First draft of the triqs application skeleton 2018-03-22 18:16:10 +01:00
Nils Wentzell
dcce274810
Initial commit 2018-03-22 15:33:59 +01:00
Gernot J. Kraberger
8d6d8b53c5 SumkDFT: analyze_block_structure_from_gf for Gf Re/Im Time/Freq 2018-03-19 11:09:31 +01:00
Nils Wentzell
dae191720c [doc] Updating jenkins and dockerfile after previous commit 2018-03-13 13:29:43 +01:00
Nils Wentzell
a89d558cd6 [doc] Run sphinx against source dir, change option BUILD_DOC -> Build_Documentation 2018-03-13 13:23:52 +01:00
Dylan Simon
73d37c6836 [jenkins] Build docs during ubuntu-clang build 
and publish; copied from triqs docs build, but with different BUILD_DOC
cmake option.
 2018-03-07 15:27:16 -05:00
Dylan Simon
c85bed0489 [doc] Link doc files from sources to build dir 
Copied from triqs build; needed for separate compilation
 2018-03-07 15:25:34 -05:00
Gernot J. Kraberger
a63169e45f SumkDFT: check the supplied gf for every shell 
in analyse_block_structure_from_gf and
analyse_deg_shells
 2018-03-01 16:09:24 +01:00
Gernot J. Kraberger
318c5a36e7 SumkDFT: adapt symm_deg_gf to work with the new deg_shells 2018-02-28 14:24:30 +01:00
Gernot J. Kraberger
69aa894586 analyze_block_structure_from_gf test 2018-02-28 14:24:30 +01:00
Gernot J. Kraberger
25218746f4 SumkDFT: analyse_block_structure_from_gf 2018-02-28 14:24:30 +01:00
Gernot J. Kraberger
8ebb0c3c29 BlockStructure: finally make the test work 2018-02-28 14:24:30 +01:00
Gernot J. Kraberger
a8d86fd198 BlockStructure: fix bug with bool comparison 2018-02-28 14:24:30 +01:00
Gernot J. Kraberger
3dbc360173 BlockStructure: update test 2018-02-28 14:24:30 +01:00
Gernot J. Kraberger
7e82b3eee5 BlockStructure: add deg_shells in str function 2018-02-28 14:24:30 +01:00
Gernot J. Kraberger
c1daf2f789 BlockStructure: show warnings only when above threshold 2018-02-28 14:24:30 +01:00
Gernot J. Kraberger
ad2ee87bc7 add deg_shells to block_structure 2018-02-28 14:24:29 +01:00
Nils Wentzell
7599336e55 Fixed a bug in reading scale from POSCAR in PLOVasp 2018-02-23 10:30:16 +01:00
Nils Wentzell
78000328f1 [Tests] Remove spaces for string comparison due to different Osx Output format 2018-02-23 10:27:20 +01:00