Nils Wentzell
97476c1a1f
Replace remaing occurances of SrVO3.h5 with SrVO3.ref.h5
2020-06-10 12:48:43 -04:00
Alexander Hampel
f4112b3cca
removed SrVO3 now SrVO3.ref.h5 and changed the test
2020-06-10 18:17:16 +02:00
Alexander Hampel
8e9fbc5dc0
add missing deps dir after apps4triqs merge
2020-06-10 18:01:36 +02:00
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
acd88f1a62
[cmake] Make sure to generate 'make VERBOSE=1' output on build failure
2020-06-09 10:40:37 -04:00
Nils Wentzell
4139230849
[doc] Update url in intersphinx_mapping for python
2020-06-08 15:36:27 -04:00
Nils Wentzell
e059d403c1
[cmake] Generalize desc file detection to allow for modules in subdirectories
2020-06-08 14:49:39 -04:00
Nils Wentzell
c98b36140a
[doc] Update autorun to latest version, default to utf8 encoding
2020-06-08 14:49:06 -04:00
Manuel Zingl
0724d9d50e
Merge pull request #143 from jkarp314/unstable
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optionally give Fermi energy in Wannier90 converter
2020-06-04 22:43:18 -04:00
Nils Wentzell
746710ea48
[cmake] explicitly link cpp2py modules against triqs_py library
2020-06-04 11:47:23 -04:00
jkarp314
e62839f10f
Update conv_W90.rst
2020-06-03 20:12:13 -04:00
jkarp314
e10ed91e3d
Update conv_W90.rst
2020-06-03 12:39:37 -04:00
jkarp314
0c4c793a3d
Update LaVO3_w90.inp
2020-06-03 12:35:15 -04:00
Jonathan Karp
37e0cb83d4
unit test for the Fermi energy in the wannier90 converter
2020-05-31 21:04:35 -04:00
Jonathan Karp
aa8c631c27
made fermi_energy an attribute of the converter
2020-05-31 21:04:15 -04:00
jkarp314
4cc530a129
Update wannier90_converter.py
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Can specify DFT Fermi energy in the inp file and it's subtracted from the r = 0 term when reading the hr file.
2020-05-31 21:03:48 -04:00
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
96b305fe8e
[doc] Add sphinx.ext.githubpages to conf.py.in
2020-05-28 10:58:07 -04:00
Nils Wentzell
278dc7ef44
[cmake] In external_project, print dependency location if found in system
2020-05-28 10:56:57 -04:00
Nils Wentzell
610f4a2430
[cmake] Be sure to set cache variables in app4triqs-config.cmake
2020-05-28 09:06:46 -04:00
Nils Wentzell
89d6b2d392
[cmake] Fix Problem with VERSION requirement in external_dependency function
2020-05-28 09:06:46 -04:00
Dylan Simon
852066938a
Update triqs python module name
2020-05-27 20:16:37 -04:00
Nils Wentzell
97c5cad66e
[py3] Run port_to_triqs3 script
2020-05-27 11:30:24 -04:00
Nils Wentzell
21532641a2
[cmake] FIX keyword usage in target_link_libraries command for cpp2py modules
2020-05-27 08:00:47 -04:00
Dylan Simon
06c3c821d3
[jenkins] run tests separately and mark failures unstable
2020-05-19 19:19:19 -04:00
Dylan Simon
d3fc0d26bf
[cmake] move gtest last (so cpp2py python wins)
2020-05-19 17:11:16 -04:00
Dylan Simon
ab12e2f966
Merge branch 'py3' into unstable
2020-05-19 14:39:54 -04:00
Dylan Simon
116df6ef67
[jenkins] initial py3 changes
2020-05-16 13:04:43 -04:00
Nils Wentzell
aea8d18739
[cmake] In extract_flags allow extraction of BUILD_INTERFACE flags
2020-05-15 14:43:08 -04:00
Nils Wentzell
dbed8f20d5
[cmake] Properly set PYTHONPATH for cpp2rst custom_command
2020-05-15 12:09:22 -04:00
Nils Wentzell
5982c49615
[cmake] Use PROJECT_SOURCE_DIR over CMAKE_SOURCE_DIR
2020-05-15 10:50:13 -04:00
Nils Wentzell
6e4598ce07
[cmake] Add PROJECT_NAME prefix to targets in doc dir to avoid naming conflicts
2020-05-13 16:06:27 -04:00
Nils Wentzell
9b76ce9c4c
[cmake] Cpp2py should be a BUILD_ALWAYS dependency
2020-05-13 15:42:02 -04:00
Nils Wentzell
35f0e35b0b
[cmake] Set target property POSITION_INDEPENDENT_CODE=ON for library
2020-05-13 15:41:24 -04:00
Markus Aichhorn
a94f8ed942
Merge pull request #138 from TRIQS/BSrotations
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BlockStructure and rotations
2020-05-13 12:17:15 +02:00
Nils Wentzell
64facf1c3b
[cmake] Minor formatting changes
2020-05-08 10:00:14 -04:00
Nils Wentzell
a631b46d14
[cmake] Documentation build no longer requires triqs to be build with doc
2020-05-07 17:50:56 -04:00
Nils Wentzell
be63b6ce24
[cmake] Set global property APP4TRIQS_FOUND to TRUE in app4triqs-config.cmake
2020-05-07 17:36:53 -04:00
Nils Wentzell
422ac1c0ad
[cmake] Make sure to require proper triqs verison in deb pkg
2020-05-07 17:36:53 -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
c57c6d734a
[cmake] Adjust CMAKE_PREFIX_PATH in module file template
2020-05-07 17:36:53 -04:00
Philipp Dumitrescu
055e7519ba
add PythonSupport; change Doc build control flow
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* change in Build_Documentation control flow
* don’t Build_Documentation of deps if EXCLUDE_FROM_ALL
* export new APP4TRIQS_WITH_PYTHON_SUPPORT variable in config.cmake
2020-05-07 17:35:43 -04:00
Alexander Hampel
f3dfd1bc6a
added Wien2k doc link
2020-05-07 13:49:41 +02:00
Alexander Hampel
0552cf2057
Update doc/guide/blockstructure.rst
2020-05-07 13:28:22 +02:00
aichhorn
0ce04d34a7
finished SOC tutorial
2020-05-05 10:29:13 +02:00
Nils Wentzell
d2114bd227
[cmake] Improve external_dependency command line output with end config notification
2020-05-01 14:42:21 -04:00
Nils Wentzell
0ebc5a3f73
[cmake] Add a warning if ASAN/UBSAN is used without Build_Deps=Always
2020-05-01 14:42:12 -04:00
Nils Wentzell
0394f7fae2
[cmake] ASAN / UBSAN should note be exported
2020-05-01 14:28:19 -04:00
aichhorn
4b09b97ce4
Included block_structure.convert_operator() in doc and non-SOC tutorial
2020-04-30 12:47:03 +02:00
